1.0beta6
Check for updates
Created & maintained by Francois Bertrand
Graphic design by Jean-Francois Hains
DataFrame
NO COMPARISON TARGET
2984
ROWS
2
DUPLICATES
6.5 MB
RAM
272
FEATURES
59
CATEGORICAL
213
NUMERICAL
0
TEXT
pIC50
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,263
(42%)
MAX
5.83
95%
4.18
Q3
3.03
AVG
2.31
MEDIAN
2.26
Q1
1.58
5%
0.52
MIN
-2.70
RANGE
8.53
IQR
1.45
STD
1.09
VAR
1.20
KURT.
-0.059
SKEW
0.145
SUM
6,898
1
apol
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,203
(40%)
MAX
243
95%
90
Q3
71
AVG
63
MEDIAN
61
Q1
52
5%
41
MIN
10
RANGE
233
IQR
18.5
STD
18.6
VAR
346
KURT.
18.2
SKEW
2.81
SUM
187k
2
ast_fraglike
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
2
(0%)
3
ast_fraglike_ext
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
2
(0%)
4
ast_violation
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
5
(0%)
5
ast_violation_ext
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
7
(0%)
6
a_acc
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
15
(1%)
MAX
23.0
95%
7.0
Q3
5.0
AVG
4.6
MEDIAN
4.0
Q1
3.0
5%
2.0
MIN
2.0
RANGE
21.0
IQR
2.00
STD
1.99
VAR
3.98
KURT.
18.7
SKEW
3.15
SUM
13,856
7
a_acid
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
8
a_aro
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
24
(1%)
MAX
35.0
95%
21.0
Q3
16.0
AVG
12.7
MEDIAN
12.0
Q1
10.0
5%
5.0
MIN
0.0
RANGE
35.0
IQR
6.00
STD
5.23
VAR
27.3
KURT.
0.282
SKEW
5.58e-4
SUM
37,914
9
a_base
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
3
(0%)
10
a_count
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
105
(4%)
MAX
229
95%
81
Q3
61
AVG
55
MEDIAN
52
Q1
45
5%
35
MIN
10
RANGE
219
IQR
16.0
STD
17.5
VAR
306
KURT.
21.2
SKEW
3.21
SUM
163k
11
a_don
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
12
a_donacc
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
20
(1%)
MAX
41.0
95%
12.0
Q3
9.0
AVG
7.7
MEDIAN
7.0
Q1
6.0
5%
5.0
MIN
4.0
RANGE
37.0
IQR
3.00
STD
2.94
VAR
8.63
KURT.
27.7
SKEW
3.64
SUM
22,978
13
a_heavy
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
67
(2%)
MAX
110
95%
42
Q3
33
AVG
29
MEDIAN
28
Q1
25
5%
19
MIN
5
RANGE
105
IQR
8.00
STD
8.22
VAR
67.6
KURT.
16.7
SKEW
2.55
SUM
87,472
14
a_hyd
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
52
(2%)
MAX
57.0
95%
28.0
Q3
22.0
AVG
19.7
MEDIAN
19.0
Q1
16.0
5%
12.0
MIN
1.0
RANGE
56.0
IQR
6.00
STD
5.60
VAR
31.4
KURT.
6.66
SKEW
1.47
SUM
58,761
15
a_IC
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,120
(38%)
MAX
369
95%
127
Q3
97
AVG
87
MEDIAN
84
Q1
73
5%
54
MIN
18
RANGE
351
IQR
24.6
STD
26.7
VAR
714
KURT.
22.1
SKEW
3.11
SUM
260k
16
a_ICM
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,100
(37%)
MAX
2.118
95%
1.837
Q3
1.680
AVG
1.598
MEDIAN
1.579
Q1
1.507
5%
1.420
MIN
1.300
RANGE
0.818
IQR
0.173
STD
0.130
VAR
0.017
KURT.
0.504
SKEW
0.707
SUM
4,769
17
a_nB
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
18
a_nBr
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
2
(0%)
19
a_nC
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
54
(2%)
MAX
71.0
95%
30.0
Q3
24.0
AVG
21.6
MEDIAN
21.0
Q1
18.0
5%
14.0
MIN
2.0
RANGE
69.0
IQR
6.00
STD
6.10
VAR
37.2
KURT.
9.89
SKEW
1.89
SUM
64,418
20
a_nCl
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
3
(0%)
21
a_nF
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
6
(0%)
22
a_nH
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
71
(2%)
MAX
119
95%
39
Q3
29
AVG
25
MEDIAN
24
Q1
20
5%
14
MIN
5
RANGE
114
IQR
9.00
STD
9.91
VAR
98.2
KURT.
20.6
SKEW
3.32
SUM
75,919
23
a_nI
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
2
(0%)
24
a_nN
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
12
(0%)
MAX
25.0
95%
6.0
Q3
4.0
AVG
3.5
MEDIAN
3.0
Q1
2.0
5%
1.0
MIN
1.0
RANGE
24.0
IQR
2.00
STD
1.76
VAR
3.09
KURT.
30.2
SKEW
3.10
SUM
10,377
25
a_nO
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
13
(0%)
MAX
15.0
95%
7.0
Q3
4.0
AVG
3.7
MEDIAN
3.0
Q1
2.0
5%
2.0
MIN
2.0
RANGE
13.0
IQR
2.00
STD
1.85
VAR
3.42
KURT.
8.89
SKEW
2.34
SUM
11,041
26
a_nP
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
27
a_nS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
4
(0%)
28
balabanJ
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,530
(51%)
MAX
3.68
95%
2.06
Q3
1.67
AVG
1.54
MEDIAN
1.50
Q1
1.34
5%
1.17
MIN
0.81
RANGE
2.87
IQR
0.330
STD
0.295
VAR
0.087
KURT.
7.21
SKEW
1.65
SUM
4,596
29
BCUT_PEOE_0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,513
(51%)
MAX
-2.161
95%
-2.304
Q3
-2.549
AVG
-2.609
MEDIAN
-2.647
Q1
-2.667
5%
-2.794
MIN
-3.017
RANGE
0.856
IQR
0.118
STD
0.136
VAR
0.019
KURT.
1.52
SKEW
0.582
SUM
-7,784
30
BCUT_PEOE_1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,573
(53%)
MAX
-0.144
95%
-0.479
Q3
-0.564
AVG
-0.591
MEDIAN
-0.603
Q1
-0.638
5%
-0.650
MIN
-0.685
RANGE
0.541
IQR
0.074
STD
0.060
VAR
0.004
KURT.
4.92
SKEW
1.64
SUM
-1,764
31
BCUT_PEOE_2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,581
(53%)
MAX
0.776
95%
0.716
Q3
0.694
MEDIAN
0.646
AVG
0.622
Q1
0.586
5%
0.432
MIN
0.225
RANGE
0.552
IQR
0.108
STD
0.089
VAR
0.008
KURT.
0.825
SKEW
-1.13
SUM
1,855
32
BCUT_PEOE_3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,532
(51%)
MAX
2.984
95%
2.838
Q3
2.671
MEDIAN
2.625
AVG
2.617
Q1
2.577
5%
2.349
MIN
2.166
RANGE
0.818
IQR
0.094
STD
0.132
VAR
0.018
KURT.
1.30
SKEW
-0.542
SUM
7,809
33
BCUT_SLOGP_0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,448
(49%)
MAX
-2.40
95%
-2.40
Q3
-2.56
MEDIAN
-2.63
AVG
-2.63
Q1
-2.70
5%
-2.87
MIN
-3.41
RANGE
1.01
IQR
0.140
STD
0.127
VAR
0.016
KURT.
0.859
SKEW
-0.382
SUM
-7,842
34
BCUT_SLOGP_1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,345
(45%)
MAX
-0.132
95%
-0.447
Q3
-0.495
AVG
-0.518
MEDIAN
-0.528
Q1
-0.538
5%
-0.582
MIN
-0.654
RANGE
0.522
IQR
0.043
STD
0.046
VAR
0.002
KURT.
7.99
SKEW
1.60
SUM
-1,545
35
BCUT_SLOGP_2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,557
(52%)
MAX
0.871
95%
0.805
Q3
0.755
MEDIAN
0.723
AVG
0.689
Q1
0.661
5%
0.437
MIN
0.269
RANGE
0.602
IQR
0.094
STD
0.107
VAR
0.011
KURT.
2.00
SKEW
-1.59
SUM
2,055
36
BCUT_SLOGP_3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,532
(51%)
MAX
3.059
95%
2.890
Q3
2.760
MEDIAN
2.734
AVG
2.695
Q1
2.639
5%
2.441
MIN
2.183
RANGE
0.876
IQR
0.120
STD
0.131
VAR
0.017
KURT.
0.350
SKEW
-0.330
SUM
8,042
37
BCUT_SMR_0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,438
(48%)
MAX
-1.839
95%
-1.997
Q3
-2.296
AVG
-2.351
MEDIAN
-2.393
Q1
-2.417
5%
-2.535
MIN
-2.759
RANGE
0.919
IQR
0.121
STD
0.152
VAR
0.023
KURT.
1.62
SKEW
0.938
SUM
-7,015
38
BCUT_SMR_1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,395
(47%)
MAX
0.071
95%
-0.302
Q3
-0.383
AVG
-0.425
MEDIAN
-0.433
Q1
-0.487
5%
-0.508
MIN
-0.548
RANGE
0.618
IQR
0.104
STD
0.070
VAR
0.005
KURT.
3.09
SKEW
1.13
SUM
-1,269
39
BCUT_SMR_2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,443
(48%)
MAX
0.949
95%
0.865
Q3
0.844
MEDIAN
0.803
AVG
0.779
Q1
0.746
5%
0.590
MIN
0.389
RANGE
0.559
IQR
0.098
STD
0.085
VAR
0.007
KURT.
1.38
SKEW
-1.31
SUM
2,325
40
BCUT_SMR_3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,579
(53%)
MAX
3.237
95%
3.081
Q3
2.935
AVG
2.877
MEDIAN
2.871
Q1
2.826
5%
2.651
MIN
2.481
RANGE
0.756
IQR
0.108
STD
0.118
VAR
0.014
KURT.
1.15
SKEW
-0.113
SUM
8,586
41
bpol
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
990
(33%)
MAX
150
95%
52
Q3
38
AVG
34
MEDIAN
32
Q1
27
5%
19
MIN
6
RANGE
145
IQR
11.8
STD
12.9
VAR
167
KURT.
19.1
SKEW
3.21
SUM
101k
42
b_1rotN
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
26
(1%)
MAX
58.0
95%
13.0
Q3
10.0
AVG
8.1
MEDIAN
8.0
Q1
6.0
5%
3.0
MIN
0.0
RANGE
58.0
IQR
4.00
STD
3.61
VAR
13.1
KURT.
44.9
SKEW
3.53
SUM
24,205
43
b_1rotR
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
246
(8%)
MAX
0.692
95%
0.394
Q3
0.318
MEDIAN
0.267
AVG
0.260
Q1
0.200
5%
0.118
MIN
0.000
RANGE
0.692
IQR
0.118
STD
0.086
VAR
0.007
KURT.
0.015
SKEW
0.155
SUM
777
44
b_ar
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
21
(1%)
MAX
35.0
95%
22.0
Q3
17.0
AVG
13.0
MEDIAN
12.0
Q1
11.0
5%
5.0
MIN
0.0
RANGE
35.0
IQR
6.00
STD
5.48
VAR
30.0
KURT.
0.176
SKEW
0.036
SUM
38,883
45
b_count
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
107
(4%)
MAX
232
95%
83
Q3
64
AVG
57
MEDIAN
55
Q1
47
5%
36
MIN
9
RANGE
223
IQR
17.0
STD
18.0
VAR
325
KURT.
19.8
SKEW
3.07
SUM
169k
46
b_double
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
8
(0%)
47
b_heavy
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
70
(2%)
MAX
113
95%
45
Q3
35
AVG
31
MEDIAN
30
Q1
26
5%
20
MIN
4
RANGE
109
IQR
9.00
STD
8.91
VAR
79.4
KURT.
13.5
SKEW
2.22
SUM
93,281
48
b_max1len
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
13
(0%)
MAX
13.0
95%
8.0
Q3
7.0
MEDIAN
5.0
AVG
4.8
Q1
3.0
5%
1.0
MIN
1.0
RANGE
12.0
IQR
4.00
STD
2.24
VAR
5.01
KURT.
-0.765
SKEW
-0.076
SUM
14,328
49
b_rotN
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
27
(1%)
MAX
68.0
95%
16.0
Q3
12.0
MEDIAN
10.0
AVG
9.7
Q1
7.0
5%
4.0
MIN
1.0
RANGE
67.0
IQR
5.00
STD
4.15
VAR
17.2
KURT.
48.2
SKEW
3.74
SUM
29,014
50
b_rotR
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
275
(9%)
MAX
0.769
95%
0.473
Q3
0.385
AVG
0.314
MEDIAN
0.312
Q1
0.233
5%
0.158
MIN
0.095
RANGE
0.674
IQR
0.151
STD
0.100
VAR
0.010
KURT.
-0.240
SKEW
0.251
SUM
936
51
b_single
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
101
(3%)
MAX
202
95%
66
Q3
48
AVG
41
MEDIAN
38
Q1
32
5%
23
MIN
8
RANGE
194
IQR
16.0
STD
17.1
VAR
294
KURT.
21.3
SKEW
3.49
SUM
123k
52
b_triple
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
2
(0%)
53
chi0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
550
(18%)
MAX
80.8
95%
30.1
Q3
23.2
AVG
21.0
MEDIAN
20.1
Q1
17.8
5%
14.1
MIN
4.3
RANGE
76.5
IQR
5.43
STD
5.96
VAR
35.5
KURT.
18.8
SKEW
2.81
SUM
62,665
54
chi0v
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,395
(47%)
MAX
63.6
95%
23.9
Q3
18.7
AVG
16.8
MEDIAN
16.3
Q1
14.1
5%
10.9
MIN
2.9
RANGE
60.8
IQR
4.65
STD
4.95
VAR
24.5
KURT.
17.3
SKEW
2.74
SUM
50,157
55
chi0v_C
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
900
(30%)
MAX
45.2
95%
18.8
Q3
14.9
AVG
13.1
MEDIAN
12.7
Q1
10.8
5%
8.3
MIN
1.5
RANGE
43.7
IQR
4.16
STD
4.03
VAR
16.3
KURT.
12.9
SKEW
2.41
SUM
39,123
56
chi0_C
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
620
(21%)
MAX
47.4
95%
20.5
Q3
16.5
AVG
14.6
MEDIAN
14.2
Q1
12.1
5%
9.4
MIN
1.6
RANGE
45.8
IQR
4.44
STD
4.24
VAR
18.0
KURT.
10.3
SKEW
2.02
SUM
43,605
57
chi1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
963
(32%)
MAX
52.8
95%
20.0
Q3
15.7
AVG
14.2
MEDIAN
13.7
Q1
12.0
5%
9.3
MIN
2.3
RANGE
50.5
IQR
3.64
STD
3.92
VAR
15.4
KURT.
16.3
SKEW
2.45
SUM
42,258
58
chi1v
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,548
(52%)
MAX
38.2
95%
14.4
Q3
11.1
AVG
10.0
MEDIAN
9.7
Q1
8.3
5%
6.3
MIN
1.2
RANGE
37.0
IQR
2.79
STD
2.99
VAR
8.93
KURT.
15.9
SKEW
2.55
SUM
29,816
59
chi1v_C
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,211
(41%)
MAX
23.8
95%
10.3
Q3
8.0
AVG
7.0
MEDIAN
6.8
Q1
5.7
5%
4.5
MIN
0.5
RANGE
23.3
IQR
2.32
STD
2.15
VAR
4.60
KURT.
9.82
SKEW
2.01
SUM
20,890
60
chi1_C
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
951
(32%)
MAX
25.7
95%
12.6
Q3
10.1
AVG
8.8
MEDIAN
8.6
Q1
7.1
5%
5.4
MIN
0.6
RANGE
25.2
IQR
2.92
STD
2.47
VAR
6.09
KURT.
5.14
SKEW
1.25
SUM
26,111
61
chiral
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
13
(0%)
MAX
18.0
95%
3.0
Q3
1.0
AVG
0.7
MEDIAN
0.0
Q1
0.0
5%
0.0
MIN
0.0
RANGE
18.0
IQR
1.00
STD
1.90
VAR
3.63
KURT.
44.8
SKEW
6.04
SUM
2,087
62
chiral_u
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
4
(0%)
63
density
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,239
(42%)
MAX
1.071
95%
0.919
Q3
0.853
AVG
0.826
MEDIAN
0.818
Q1
0.791
5%
0.763
MIN
0.730
RANGE
0.341
IQR
0.062
STD
0.048
VAR
0.002
KURT.
1.08
SKEW
0.966
SUM
2,463
64
diameter
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
35
(1%)
MAX
57.0
95%
23.0
Q3
18.0
AVG
16.5
MEDIAN
16.0
Q1
14.0
5%
11.0
MIN
3.0
RANGE
54.0
IQR
4.00
STD
4.20
VAR
17.6
KURT.
11.7
SKEW
1.67
SUM
49,309
65
FCharge
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
3
(0%)
66
GCUT_PEOE_0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,454
(49%)
MAX
-0.820
95%
-0.822
Q3
-0.825
MEDIAN
-0.832
AVG
-0.836
Q1
-0.845
5%
-0.863
MIN
-0.974
RANGE
0.154
IQR
0.020
STD
0.014
VAR
1.93e-4
KURT.
3.23
SKEW
-1.21
SUM
-2,495
67
GCUT_PEOE_1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,645
(55%)
MAX
-0.319
95%
-0.389
Q3
-0.403
MEDIAN
-0.410
AVG
-0.410
Q1
-0.418
5%
-0.432
MIN
-0.483
RANGE
0.164
IQR
0.015
STD
0.014
VAR
2.01e-4
KURT.
3.49
SKEW
0.454
SUM
-1,224
68
GCUT_PEOE_2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,600
(54%)
MAX
0.185
95%
0.118
Q3
0.082
MEDIAN
0.076
AVG
0.075
Q1
0.068
5%
0.024
MIN
-0.113
RANGE
0.298
IQR
0.014
STD
0.028
VAR
8.05e-4
KURT.
7.74
SKEW
-1.41
SUM
224
69
GCUT_PEOE_3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,687
(57%)
MAX
3.73
95%
3.08
Q3
2.79
AVG
2.68
MEDIAN
2.66
Q1
2.55
5%
2.39
MIN
1.60
RANGE
2.13
IQR
0.237
STD
0.212
VAR
0.045
KURT.
3.04
SKEW
0.862
SUM
7,991
70
GCUT_SLOGP_0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
530
(18%)
MAX
-1.16
95%
-1.17
Q3
-1.17
MEDIAN
-1.17
AVG
-1.18
Q1
-1.17
5%
-1.17
MIN
-2.25
RANGE
1.09
IQR
1.39e-4
STD
0.054
VAR
0.003
KURT.
201
SKEW
-11.7
SUM
-3,514
71
GCUT_SLOGP_1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,677
(56%)
MAX
-0.240
95%
-0.278
Q3
-0.303
MEDIAN
-0.323
AVG
-0.327
Q1
-0.347
5%
-0.387
MIN
-0.449
RANGE
0.209
IQR
0.043
STD
0.033
VAR
0.001
KURT.
0.056
SKEW
-0.499
SUM
-974
72
GCUT_SLOGP_2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,437
(48%)
MAX
0.260
95%
0.216
Q3
0.171
MEDIAN
0.156
AVG
0.147
Q1
0.138
5%
0.018
MIN
-0.037
RANGE
0.297
IQR
0.033
STD
0.052
VAR
0.003
KURT.
1.63
SKEW
-1.15
SUM
437
73
GCUT_SLOGP_3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,687
(57%)
MAX
3.80
95%
3.11
Q3
2.87
AVG
2.76
MEDIAN
2.75
Q1
2.65
5%
2.48
MIN
1.52
RANGE
2.28
IQR
0.217
STD
0.198
VAR
0.039
KURT.
3.00
SKEW
0.636
SUM
8,250
74
GCUT_SMR_0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,536
(51%)
MAX
-0.483
95%
-0.483
Q3
-0.516
AVG
-0.521
MEDIAN
-0.529
Q1
-0.531
5%
-0.534
MIN
-0.645
RANGE
0.161
IQR
0.014
STD
0.016
VAR
2.67e-4
KURT.
4.90
SKEW
0.540
SUM
-1,556
75
GCUT_SMR_1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,454
(49%)
MAX
-0.100
95%
-0.199
Q3
-0.215
AVG
-0.219
MEDIAN
-0.219
Q1
-0.225
5%
-0.235
MIN
-0.250
RANGE
0.149
IQR
0.010
STD
0.012
VAR
1.50e-4
KURT.
13.1
SKEW
2.12
SUM
-652
76
GCUT_SMR_2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,395
(47%)
MAX
0.324
95%
0.251
Q3
0.204
MEDIAN
0.193
AVG
0.190
Q1
0.172
5%
0.135
MIN
0.072
RANGE
0.252
IQR
0.031
STD
0.032
VAR
9.95e-4
KURT.
1.02
SKEW
0.312
SUM
566
77
GCUT_SMR_3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,687
(57%)
MAX
3.96
95%
3.33
Q3
3.06
AVG
2.95
MEDIAN
2.93
Q1
2.83
5%
2.66
MIN
1.82
RANGE
2.14
IQR
0.229
STD
0.203
VAR
0.041
KURT.
2.82
SKEW
0.685
SUM
8,803
78
h_ema
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,684
(56%)
MAX
46.8
95%
12.8
Q3
9.3
AVG
7.9
MEDIAN
7.4
Q1
5.7
5%
3.7
MIN
2.8
RANGE
44.0
IQR
3.62
STD
3.47
VAR
12.1
KURT.
25.8
SKEW
3.36
SUM
23,563
79
h_emd
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,685
(56%)
MAX
73.1
95%
22.8
Q3
16.6
AVG
14.7
MEDIAN
13.9
Q1
11.5
5%
9.7
MIN
6.8
RANGE
66.2
IQR
5.16
STD
4.81
VAR
23.2
KURT.
31.1
SKEW
3.57
SUM
43,747
80
h_emd_C
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,687
(57%)
MAX
31.2
95%
11.4
Q3
7.9
AVG
6.9
MEDIAN
6.3
Q1
5.2
5%
3.9
MIN
1.4
RANGE
29.8
IQR
2.67
STD
2.77
VAR
7.65
KURT.
15.9
SKEW
2.88
SUM
20,470
81
h_logD
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,686
(57%)
MAX
8.7
95%
5.0
Q3
3.6
MEDIAN
2.8
AVG
2.8
Q1
1.9
5%
0.5
MIN
-17.7
RANGE
26.4
IQR
1.72
STD
1.59
VAR
2.53
KURT.
33.0
SKEW
-2.66
SUM
8,278
82
h_logP
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,687
(57%)
MAX
8.7
95%
5.1
Q3
3.8
MEDIAN
3.1
AVG
3.0
Q1
2.3
5%
1.0
MIN
-9.5
RANGE
18.2
IQR
1.51
STD
1.33
VAR
1.76
KURT.
5.15
SKEW
-0.490
SUM
9,004
83
h_logS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,686
(57%)
MAX
4.8
95%
-2.6
Q3
-3.9
AVG
-4.7
MEDIAN
-4.7
Q1
-5.5
5%
-6.9
MIN
-10.7
RANGE
15.5
IQR
1.60
STD
1.36
VAR
1.85
KURT.
2.35
SKEW
0.083
SUM
-14,102
84
h_log_dbo
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
96
(3%)
MAX
1.44
95%
1.35
Q3
0.00
AVG
0.08
MEDIAN
0.00
Q1
0.00
5%
0.00
MIN
0.00
RANGE
1.44
IQR
0.00
STD
0.321
VAR
0.103
KURT.
12.7
SKEW
3.84
SUM
235
85
h_log_pbo
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,537
(52%)
MAX
22.3
95%
14.5
Q3
10.9
MEDIAN
9.6
AVG
9.4
Q1
7.3
5%
5.2
MIN
1.1
RANGE
21.3
IQR
3.55
STD
2.80
VAR
7.83
KURT.
0.929
SKEW
0.270
SUM
27,957
86
h_mr
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,616
(54%)
MAX
42.0
95%
15.8
Q3
12.6
AVG
11.3
MEDIAN
11.0
Q1
9.5
5%
7.4
MIN
1.7
RANGE
40.3
IQR
3.05
STD
3.13
VAR
9.79
KURT.
16.3
SKEW
2.43
SUM
33,751
87
h_pavgQ
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,624
(54%)
MAX
4.98
95%
1.05
Q3
0.11
AVG
0.16
MEDIAN
-0.02
Q1
-0.02
5%
-0.16
MIN
-1.60
RANGE
6.58
IQR
0.125
STD
0.464
VAR
0.215
KURT.
16.7
SKEW
2.58
SUM
479
88
h_pKa
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,565
(52%)
MAX
10.84
95%
9.36
Q3
8.79
MEDIAN
8.79
AVG
8.56
Q1
8.38
5%
7.70
MIN
4.69
RANGE
6.15
IQR
0.415
STD
0.594
VAR
0.353
KURT.
9.29
SKEW
-1.97
SUM
25,542
89
h_pKb
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,024
(34%)
MAX
16.5
95%
14.0
Q3
14.0
AVG
10.7
MEDIAN
10.4
Q1
7.7
5%
6.2
MIN
3.6
RANGE
12.9
IQR
6.26
STD
3.24
VAR
10.5
KURT.
-1.65
SKEW
-0.143
SUM
31,943
90
h_pstates
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,597
(54%)
MAX
6.18
95%
3.17
Q3
1.73
AVG
1.59
MEDIAN
1.32
Q1
1.09
5%
1.08
MIN
1.05
RANGE
5.14
IQR
0.645
STD
0.759
VAR
0.576
KURT.
7.62
SKEW
2.48
SUM
4,749
91
h_pstrain
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,631
(55%)
MAX
57.7
95%
3.5
Q3
0.4
AVG
0.7
MEDIAN
0.0
Q1
0.0
5%
0.0
MIN
0.0
RANGE
57.7
IQR
0.346
STD
2.58
VAR
6.67
KURT.
327
SKEW
16.0
SUM
2,039
92
Kier1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
171
(6%)
MAX
102.4
95%
34.8
Q3
27.0
AVG
24.1
MEDIAN
23.2
Q1
20.3
5%
15.9
MIN
5.0
RANGE
97.4
IQR
6.77
STD
7.19
VAR
51.7
KURT.
23.5
SKEW
3.14
SUM
71,907
93
Kier2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
356
(12%)
MAX
60.5
95%
17.6
Q3
14.1
AVG
12.1
MEDIAN
11.7
Q1
9.9
5%
7.3
MIN
2.2
RANGE
58.2
IQR
4.16
STD
3.82
VAR
14.6
KURT.
33.8
SKEW
3.31
SUM
36,149
94
Kier3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
577
(19%)
MAX
42.7
95%
11.3
Q3
8.7
AVG
7.3
MEDIAN
7.0
Q1
5.6
5%
3.5
MIN
1.7
RANGE
41.0
IQR
3.08
STD
2.72
VAR
7.40
KURT.
35.9
SKEW
3.22
SUM
21,747
95
KierA1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,148
(38%)
MAX
79.3
95%
26.9
Q3
20.4
AVG
18.2
MEDIAN
17.4
Q1
14.9
5%
11.2
MIN
3.5
RANGE
75.8
IQR
5.50
STD
6.15
VAR
37.8
KURT.
22.8
SKEW
3.43
SUM
54,408
96
KierA2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,299
(44%)
MAX
46.8
95%
13.3
Q3
10.4
AVG
9.1
MEDIAN
8.7
Q1
7.2
5%
5.2
MIN
1.4
RANGE
45.3
IQR
3.24
STD
3.16
VAR
9.98
KURT.
29.4
SKEW
3.37
SUM
27,035
97
KierA3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,417
(47%)
MAX
32.9
95%
8.5
Q3
6.5
AVG
5.4
MEDIAN
5.2
Q1
4.1
5%
2.5
MIN
1.2
RANGE
31.8
IQR
2.38
STD
2.21
VAR
4.87
KURT.
31.6
SKEW
3.22
SUM
16,155
98
KierFlex
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,316
(44%)
MAX
33.7
95%
8.9
Q3
6.8
AVG
5.7
MEDIAN
5.4
Q1
4.3
5%
2.8
MIN
1.0
RANGE
32.7
IQR
2.55
STD
2.47
VAR
6.13
KURT.
27.6
SKEW
3.57
SUM
17,035
99
lip_acc
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
19
(1%)
MAX
39.0
95%
12.0
Q3
8.0
AVG
7.2
MEDIAN
7.0
Q1
5.0
5%
4.0
MIN
3.0
RANGE
36.0
IQR
3.00
STD
2.81
VAR
7.87
KURT.
24.1
SKEW
3.03
SUM
21,418
100
lip_don
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
101
lip_druglike
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
2
(0%)
102
lip_violation
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
5
(0%)
103
logP(o/w)
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,433
(48%)
MAX
8.6
95%
5.5
Q3
4.0
AVG
3.1
MEDIAN
3.1
Q1
2.2
5%
0.8
MIN
-5.0
RANGE
13.6
IQR
1.80
STD
1.41
VAR
1.99
KURT.
1.34
SKEW
-0.118
SUM
9,208
104
logS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,508
(51%)
MAX
0.4
95%
-2.5
Q3
-3.8
MEDIAN
-4.7
AVG
-4.8
Q1
-5.8
5%
-7.3
MIN
-11.1
RANGE
11.5
IQR
1.96
STD
1.50
VAR
2.24
KURT.
0.742
SKEW
-0.359
SUM
-14,352
105
mr
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,565
(52%)
MAX
41.1
95%
15.6
Q3
12.6
AVG
11.3
MEDIAN
11.0
Q1
9.5
5%
7.4
MIN
1.7
RANGE
39.4
IQR
3.07
STD
3.08
VAR
9.47
KURT.
15.7
SKEW
2.38
SUM
33,656
106
mutagenic
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
107
nmol
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
108
opr_brigid
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
34
(1%)
MAX
41.0
95%
27.0
Q3
21.0
MEDIAN
17.0
AVG
16.9
Q1
12.0
5%
7.0
MIN
0.0
RANGE
41.0
IQR
9.00
STD
6.04
VAR
36.5
KURT.
1.08
SKEW
0.532
SUM
50,331
109
opr_leadlike
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
2
(0%)
110
opr_nring
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
8
(0%)
111
opr_nrot
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
39
(1%)
MAX
58.0
95%
16.0
Q3
11.0
AVG
9.0
MEDIAN
8.0
Q1
6.0
5%
3.0
MIN
0.0
RANGE
58.0
IQR
5.00
STD
4.72
VAR
22.3
KURT.
20.2
SKEW
3.02
SUM
26,853
112
opr_violation
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
7
(0%)
113
PC+
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
114
PC-
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
115
PEOE_PC+
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,461
(49%)
MAX
7.89
95%
2.48
Q3
1.73
AVG
1.46
MEDIAN
1.37
Q1
1.07
5%
0.69
MIN
0.37
RANGE
7.52
IQR
0.655
STD
0.650
VAR
0.422
KURT.
16.4
SKEW
2.63
SUM
4,361
116
PEOE_PC-
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,460
(49%)
MAX
-0.37
95%
-0.69
Q3
-1.07
MEDIAN
-1.37
AVG
-1.46
Q1
-1.73
5%
-2.48
MIN
-7.89
RANGE
7.52
IQR
0.658
STD
0.651
VAR
0.423
KURT.
16.3
SKEW
-2.62
SUM
-4,356
117
PEOE_RPC+
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,485
(50%)
MAX
0.814
95%
0.438
Q3
0.279
AVG
0.242
MEDIAN
0.218
Q1
0.173
5%
0.121
MIN
0.038
RANGE
0.776
IQR
0.105
STD
0.110
VAR
0.012
KURT.
5.97
SKEW
2.03
SUM
723
118
PEOE_RPC-
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,457
(49%)
MAX
0.703
95%
0.440
Q3
0.274
AVG
0.240
MEDIAN
0.220
Q1
0.179
5%
0.123
MIN
0.039
RANGE
0.664
IQR
0.095
STD
0.102
VAR
0.010
KURT.
5.21
SKEW
1.89
SUM
716
119
PEOE_VSA+0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
375
(13%)
MAX
490
95%
251
Q3
185
AVG
150
MEDIAN
144
Q1
111
5%
54
MIN
0
RANGE
490
IQR
74.3
STD
63.4
VAR
4,014
KURT.
3.67
SKEW
1.05
SUM
447k
120
PEOE_VSA+1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
271
(9%)
MAX
180
95%
104
Q3
60
AVG
47
MEDIAN
38
Q1
29
5%
13
MIN
0
RANGE
180
IQR
31.2
STD
29.2
VAR
850
KURT.
1.64
SKEW
1.19
SUM
139k
121
PEOE_VSA+2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
169
(6%)
MAX
219
95%
76
Q3
41
AVG
29
MEDIAN
27
Q1
11
5%
0
MIN
0
RANGE
219
IQR
29.4
STD
24.2
VAR
585
KURT.
4.79
SKEW
1.46
SUM
86,249
122
PEOE_VSA+3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
109
(4%)
MAX
165
95%
67
Q3
36
AVG
20
MEDIAN
9
Q1
0
5%
0
MIN
0
RANGE
165
IQR
35.7
STD
25.4
VAR
646
KURT.
3.08
SKEW
1.61
SUM
60,484
123
PEOE_VSA+4
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
34
(1%)
MAX
81.2
95%
22.1
Q3
0.0
AVG
3.3
MEDIAN
0.0
Q1
0.0
5%
0.0
MIN
0.0
RANGE
81.2
IQR
0.00
STD
8.46
VAR
71.5
KURT.
13.6
SKEW
3.13
SUM
9,868
124
PEOE_VSA+5
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
35
(1%)
MAX
171
95%
41
Q3
26
AVG
18
MEDIAN
13
Q1
4
5%
0
MIN
0
RANGE
171
IQR
21.7
STD
15.2
VAR
232
KURT.
13.4
SKEW
1.88
SUM
53,316
125
PEOE_VSA+6
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
31
(1%)
MAX
78.6
95%
19.2
Q3
12.9
AVG
6.3
MEDIAN
0.0
Q1
0.0
5%
0.0
MIN
0.0
RANGE
78.6
IQR
12.9
STD
8.21
VAR
67.4
KURT.
2.70
SKEW
1.26
SUM
18,923
126
PEOE_VSA-0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
108
(4%)
MAX
237
95%
115
Q3
63
AVG
35
MEDIAN
18
Q1
0
5%
0
MIN
0
RANGE
237
IQR
63.2
STD
41.4
VAR
1,714
KURT.
2.09
SKEW
1.42
SUM
103k
127
PEOE_VSA-1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
37
(1%)
MAX
95.1
95%
57.4
Q3
27.9
AVG
32.1
MEDIAN
27.9
Q1
27.9
5%
27.9
MIN
27.9
RANGE
67.2
IQR
0.00
STD
10.0
VAR
100
KURT.
10.6
SKEW
3.04
SUM
95,887
128
PEOE_VSA-2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
23
(1%)
MAX
143
95%
18
Q3
0
AVG
3
MEDIAN
0
Q1
0
5%
0
MIN
0
RANGE
143
IQR
0.00
STD
8.54
VAR
72.9
KURT.
104
SKEW
7.96
SUM
8,303
129
PEOE_VSA-3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
22
(1%)
MAX
53.5
95%
17.7
Q3
0.0
AVG
3.2
MEDIAN
0.0
Q1
0.0
5%
0.0
MIN
0.0
RANGE
53.5
IQR
0.00
STD
8.04
VAR
64.6
KURT.
12.3
SKEW
3.34
SUM
9,562
130
PEOE_VSA-4
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
39
(1%)
MAX
73.5
95%
32.0
Q3
17.0
AVG
11.4
MEDIAN
5.9
Q1
5.7
5%
0.0
MIN
0.0
RANGE
73.5
IQR
11.4
STD
10.9
VAR
119
KURT.
4.19
SKEW
1.65
SUM
34,086
131
PEOE_VSA-5
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
34
(1%)
MAX
176
95%
46
Q3
27
MEDIAN
27
AVG
25
Q1
14
5%
14
MIN
14
RANGE
163
IQR
13.6
STD
14.0
VAR
195
KURT.
19.4
SKEW
2.73
SUM
74,875
132
PEOE_VSA-6
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
20
(1%)
MAX
58.3
95%
7.5
Q3
2.5
AVG
1.8
MEDIAN
0.0
Q1
0.0
5%
0.0
MIN
0.0
RANGE
58.3
IQR
2.50
STD
4.32
VAR
18.7
KURT.
72.0
SKEW
6.99
SUM
5,270
133
PEOE_VSA_FHYD
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,293
(43%)
MAX
0.940
95%
0.921
Q3
0.883
MEDIAN
0.835
AVG
0.830
Q1
0.790
5%
0.711
MIN
0.517
RANGE
0.423
IQR
0.092
STD
0.064
VAR
0.004
KURT.
0.466
SKEW
-0.675
SUM
2,475
134
PEOE_VSA_FNEG
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,430
(48%)
MAX
0.931
95%
0.532
Q3
0.353
AVG
0.295
MEDIAN
0.272
Q1
0.209
5%
0.142
MIN
0.096
RANGE
0.834
IQR
0.144
STD
0.123
VAR
0.015
KURT.
2.97
SKEW
1.34
SUM
880
135
PEOE_VSA_FPNEG
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,276
(43%)
MAX
0.269
95%
0.163
Q3
0.123
AVG
0.099
MEDIAN
0.096
Q1
0.073
5%
0.045
MIN
0.031
RANGE
0.238
IQR
0.050
STD
0.037
VAR
0.001
KURT.
0.438
SKEW
0.586
SUM
296
136
PEOE_VSA_FPOL
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,294
(43%)
MAX
0.483
95%
0.289
Q3
0.210
AVG
0.170
MEDIAN
0.165
Q1
0.117
5%
0.079
MIN
0.060
RANGE
0.423
IQR
0.092
STD
0.064
VAR
0.004
KURT.
0.466
SKEW
0.675
SUM
509
137
PEOE_VSA_FPOS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,430
(48%)
MAX
0.904
95%
0.858
Q3
0.791
MEDIAN
0.728
AVG
0.705
Q1
0.647
5%
0.468
MIN
0.069
RANGE
0.834
IQR
0.144
STD
0.123
VAR
0.015
KURT.
2.97
SKEW
-1.34
SUM
2,104
138
PEOE_VSA_FPPOS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,278
(43%)
MAX
0.421
95%
0.139
Q3
0.090
AVG
0.071
MEDIAN
0.065
Q1
0.041
5%
0.031
MIN
0.023
RANGE
0.398
IQR
0.049
STD
0.036
VAR
0.001
KURT.
5.98
SKEW
1.52
SUM
213
139
PEOE_VSA_HYD
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,260
(42%)
MAX
988
95%
437
Q3
362
AVG
317
MEDIAN
310
Q1
265
5%
208
MIN
57
RANGE
931
IQR
97.0
STD
87.5
VAR
7,660
KURT.
10.4
SKEW
1.98
SUM
945k
140
PEOE_VSA_NEG
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
796
(27%)
MAX
430
95%
190
Q3
134
AVG
109
MEDIAN
103
Q1
77
5%
47
MIN
41
RANGE
389
IQR
56.6
STD
44.4
VAR
1,970
KURT.
3.96
SKEW
1.18
SUM
326k
141
PEOE_VSA_PNEG
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
168
(6%)
MAX
233
95%
72
Q3
46
AVG
38
MEDIAN
35
Q1
25
5%
14
MIN
14
RANGE
220
IQR
21.5
STD
19.6
VAR
384
KURT.
14.2
SKEW
2.30
SUM
114k
142
PEOE_VSA_POL
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
347
(12%)
MAX
485
95%
127
Q3
82
AVG
66
MEDIAN
61
Q1
40
5%
27
MIN
27
RANGE
459
IQR
42.0
STD
35.2
VAR
1,240
KURT.
27.4
SKEW
3.16
SUM
196k
143
PEOE_VSA_POS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,331
(45%)
MAX
1,043
95%
412
Q3
322
AVG
273
MEDIAN
268
Q1
217
5%
134
MIN
15
RANGE
1,028
IQR
105
STD
98.0
VAR
9,603
KURT.
9.49
SKEW
1.70
SUM
815k
144
PEOE_VSA_PPOS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
122
(4%)
MAX
252
95%
61
Q3
35
AVG
28
MEDIAN
26
Q1
13
5%
13
MIN
13
RANGE
239
IQR
22.1
STD
17.8
VAR
315
KURT.
34.4
SKEW
3.62
SUM
82,107
145
petitjean
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
22
(1%)
MAX
0.500
95%
0.500
Q3
0.500
AVG
0.483
MEDIAN
0.483
Q1
0.467
5%
0.462
MIN
0.333
RANGE
0.167
IQR
0.033
STD
0.018
VAR
3.25e-4
KURT.
1.86
SKEW
-0.856
SUM
1,442
146
petitjeanSC
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
22
(1%)
MAX
1.000
95%
1.000
Q3
1.000
AVG
0.938
MEDIAN
0.933
Q1
0.875
5%
0.857
MIN
0.500
RANGE
0.500
IQR
0.125
STD
0.066
VAR
0.004
KURT.
0.195
SKEW
-0.610
SUM
2,799
147
Q_PC+
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
148
Q_PC-
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
149
Q_RPC+
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
150
Q_RPC-
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
151
Q_VSA_FHYD
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
152
Q_VSA_FNEG
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
153
Q_VSA_FPNEG
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
154
Q_VSA_FPOL
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
155
Q_VSA_FPOS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
156
Q_VSA_FPPOS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
157
Q_VSA_HYD
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,257
(42%)
MAX
1,474
95%
531
Q3
428
AVG
383
MEDIAN
369
Q1
322
5%
254
MIN
84
RANGE
1,390
IQR
106
STD
108
VAR
11,624
KURT.
19.6
SKEW
2.85
SUM
1.1M
158
Q_VSA_NEG
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
159
Q_VSA_PNEG
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
160
Q_VSA_POL
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
161
Q_VSA_POS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,257
(42%)
MAX
1,474
95%
531
Q3
428
AVG
383
MEDIAN
369
Q1
322
5%
254
MIN
84
RANGE
1,390
IQR
106
STD
108
VAR
11,624
KURT.
19.6
SKEW
2.85
SUM
1.1M
162
Q_VSA_PPOS
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
163
radius
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
19
(1%)
MAX
29.0
95%
12.0
Q3
9.0
AVG
8.5
MEDIAN
8.0
Q1
7.0
5%
6.0
MIN
2.0
RANGE
27.0
IQR
2.00
STD
2.12
VAR
4.47
KURT.
11.6
SKEW
1.66
SUM
25,419
164
reactive
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
2
(0%)
165
rings
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
8
(0%)
166
RPC+
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
167
RPC-
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
168
rsynth
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
377
(13%)
MAX
0.880
95%
0.725
Q3
0.550
MEDIAN
0.424
AVG
0.413
Q1
0.256
5%
0.111
MIN
0.019
RANGE
0.861
IQR
0.295
STD
0.192
VAR
0.037
KURT.
-0.760
SKEW
0.062
SUM
1,231
169
SlogP
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,451
(49%)
MAX
8.9
95%
5.6
Q3
4.3
MEDIAN
3.5
AVG
3.5
Q1
2.7
5%
1.4
MIN
-3.7
RANGE
12.5
IQR
1.65
STD
1.30
VAR
1.69
KURT.
1.49
SKEW
-0.190
SUM
10,436
170
SlogP_VSA0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
76
(3%)
MAX
413
95%
75
Q3
43
AVG
37
MEDIAN
32
Q1
21
5%
21
MIN
18
RANGE
395
IQR
22.0
STD
25.0
VAR
624
KURT.
71.6
SKEW
5.91
SUM
109k
171
SlogP_VSA1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
230
(8%)
MAX
144
95%
80
Q3
51
AVG
35
MEDIAN
29
Q1
16
5%
5
MIN
5
RANGE
139
IQR
35.6
STD
23.2
VAR
540
KURT.
0.482
SKEW
0.850
SUM
103k
172
SlogP_VSA2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
117
(4%)
MAX
360
95%
116
Q3
77
AVG
70
MEDIAN
60
Q1
49
5%
49
MIN
49
RANGE
310
IQR
27.8
STD
28.8
VAR
832
KURT.
20.8
SKEW
3.50
SUM
208k
173
SlogP_VSA3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
57
(2%)
MAX
184
95%
65
Q3
21
MEDIAN
18
AVG
18
Q1
0
5%
0
MIN
0
RANGE
184
IQR
20.9
STD
23.0
VAR
529
KURT.
6.18
SKEW
2.03
SUM
53,157
174
SlogP_VSA4
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
125
(4%)
MAX
70.0
95%
36.6
Q3
19.6
AVG
12.7
MEDIAN
7.6
Q1
3.2
5%
0.0
MIN
0.0
RANGE
70.0
IQR
16.4
STD
13.1
VAR
170
KURT.
1.81
SKEW
1.43
SUM
38,030
175
SlogP_VSA5
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
101
(3%)
MAX
169
95%
69
Q3
35
AVG
20
MEDIAN
17
Q1
0
5%
0
MIN
0
RANGE
169
IQR
35.4
STD
25.2
VAR
634
KURT.
3.07
SKEW
1.56
SUM
60,054
176
SlogP_VSA6
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
14
(0%)
MAX
16.6
95%
4.4
Q3
0.0
AVG
0.9
MEDIAN
0.0
Q1
0.0
5%
0.0
MIN
0.0
RANGE
16.6
IQR
0.00
STD
2.28
VAR
5.21
KURT.
8.10
SKEW
2.74
SUM
2,811
177
SlogP_VSA7
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
289
(10%)
MAX
457
95%
242
Q3
167
MEDIAN
134
AVG
132
Q1
88
5%
35
MIN
0
RANGE
457
IQR
78.8
STD
61.4
VAR
3,774
KURT.
0.462
SKEW
0.285
SUM
393k
178
SlogP_VSA8
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
72
(2%)
MAX
472
95%
151
Q3
112
MEDIAN
75
AVG
74
Q1
22
5%
0
MIN
0
RANGE
472
IQR
90.7
STD
51.9
VAR
2,689
KURT.
5.58
SKEW
1.31
SUM
221k
179
SlogP_VSA9
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
390
(13%)
MAX
370
95%
162
Q3
72
AVG
54
MEDIAN
37
Q1
15
5%
0
MIN
0
RANGE
370
IQR
57.3
STD
57.2
VAR
3,267
KURT.
7.12
SKEW
2.24
SUM
160k
180
SMR
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,455
(49%)
MAX
40.7
95%
15.6
Q3
12.5
AVG
11.2
MEDIAN
11.0
Q1
9.4
5%
7.4
MIN
1.6
RANGE
39.1
IQR
3.14
STD
3.08
VAR
9.46
KURT.
15.0
SKEW
2.28
SUM
33,370
181
SMR_VSA0
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
51
(2%)
MAX
310
95%
96
Q3
59
AVG
48
MEDIAN
48
Q1
24
5%
24
MIN
24
RANGE
286
IQR
34.9
STD
27.1
VAR
736
KURT.
12.1
SKEW
2.14
SUM
145k
182
SMR_VSA1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
200
(7%)
MAX
168
95%
76
Q3
37
AVG
27
MEDIAN
22
Q1
11
5%
0
MIN
0
RANGE
168
IQR
25.6
STD
25.1
VAR
632
KURT.
5.30
SKEW
1.75
SUM
81,998
183
SMR_VSA2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
121
(4%)
MAX
217
95%
90
Q3
64
AVG
59
MEDIAN
54
Q1
46
5%
46
MIN
46
RANGE
171
IQR
18.0
STD
18.3
VAR
334
KURT.
16.4
SKEW
3.19
SUM
177k
184
SMR_VSA3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
264
(9%)
MAX
80.0
95%
26.0
Q3
14.8
AVG
11.4
MEDIAN
9.6
Q1
5.9
5%
0.0
MIN
0.0
RANGE
80.0
IQR
8.86
STD
9.86
VAR
97.3
KURT.
14.2
SKEW
2.92
SUM
33,917
185
SMR_VSA4
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
138
(5%)
MAX
239
95%
45
Q3
21
AVG
13
MEDIAN
6
Q1
3
5%
0
MIN
0
RANGE
239
IQR
18.0
STD
16.6
VAR
277
KURT.
45.5
SKEW
4.28
SUM
38,906
186
SMR_VSA5
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
496
(17%)
MAX
614
95%
310
Q3
254
AVG
210
MEDIAN
201
Q1
166
5%
109
MIN
0
RANGE
614
IQR
88.2
STD
64.2
VAR
4,116
KURT.
2.03
SKEW
0.568
SUM
626k
187
SMR_VSA6
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
187
(6%)
MAX
255
95%
79
Q3
45
AVG
33
MEDIAN
29
Q1
11
5%
5
MIN
5
RANGE
250
IQR
34.2
STD
26.0
VAR
676
KURT.
8.36
SKEW
1.98
SUM
98,188
188
SMR_VSA7
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
131
(4%)
MAX
437
95%
142
Q3
67
AVG
49
MEDIAN
35
Q1
0
5%
0
MIN
0
RANGE
437
IQR
66.7
STD
59.1
VAR
3,488
KURT.
11.3
SKEW
2.63
SUM
147k
189
TPSA
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
398
(13%)
MAX
622
95%
158
Q3
116
AVG
101
MEDIAN
97
Q1
75
5%
54
MIN
49
RANGE
572
IQR
41.1
STD
39.7
VAR
1,573
KURT.
41.1
SKEW
4.01
SUM
301k
190
VAdjEq
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
171
(6%)
MAX
0.904
95%
0.500
Q3
0.424
AVG
0.389
MEDIAN
0.388
Q1
0.351
5%
0.291
MIN
0.134
RANGE
0.770
IQR
0.073
STD
0.069
VAR
0.005
KURT.
6.07
SKEW
1.13
SUM
1,162
191
VAdjMa
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
70
(2%)
MAX
7.82
95%
6.49
Q3
6.13
AVG
5.91
MEDIAN
5.91
Q1
5.70
5%
5.32
MIN
3.00
RANGE
4.82
IQR
0.429
STD
0.396
VAR
0.157
KURT.
5.68
SKEW
-0.598
SUM
17,645
192
VDistEq
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,430
(48%)
MAX
5.49
95%
4.28
Q3
3.94
MEDIAN
3.76
AVG
3.76
Q1
3.60
5%
3.18
MIN
1.52
RANGE
3.97
IQR
0.347
STD
0.349
VAR
0.122
KURT.
3.79
SKEW
-0.596
SUM
11,210
193
VDistMa
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,432
(48%)
MAX
13.24
95%
10.46
Q3
9.74
MEDIAN
9.33
AVG
9.33
Q1
8.93
5%
8.22
MIN
4.20
RANGE
9.04
IQR
0.818
STD
0.763
VAR
0.583
KURT.
4.76
SKEW
-0.292
SUM
27,843
194
vdw_area
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,257
(42%)
MAX
1,474
95%
531
Q3
428
AVG
383
MEDIAN
369
Q1
322
5%
254
MIN
84
RANGE
1,390
IQR
106
STD
108
VAR
11,624
KURT.
19.6
SKEW
2.85
SUM
1.1M
195
vdw_vol
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,240
(42%)
MAX
1,686
95%
651
Q3
519
AVG
465
MEDIAN
451
Q1
391
5%
304
MIN
70
RANGE
1,616
IQR
127
STD
128
VAR
16,465
KURT.
15.4
SKEW
2.40
SUM
1.4M
196
vsa_acc
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
137
(5%)
MAX
227
95%
67
Q3
43
AVG
34
MEDIAN
32
Q1
22
5%
14
MIN
14
RANGE
214
IQR
21.5
STD
17.4
VAR
302
KURT.
20.9
SKEW
2.67
SUM
102k
197
vsa_acid
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1
(0%)
198
vsa_base
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
3
(0%)
199
vsa_don
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
22
(1%)
MAX
115
95%
28
Q3
17
MEDIAN
17
AVG
16
Q1
11
5%
11
MIN
6
RANGE
110
IQR
5.68
STD
7.25
VAR
52.6
KURT.
50.0
SKEW
4.74
SUM
48,006
200
vsa_hyd
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,152
(39%)
MAX
864
95%
397
Q3
317
AVG
279
MEDIAN
273
Q1
228
5%
173
MIN
29
RANGE
834
IQR
88.9
STD
83.6
VAR
6,991
KURT.
10.3
SKEW
2.03
SUM
832k
201
vsa_other
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
144
(5%)
MAX
180
95%
66
Q3
41
AVG
33
MEDIAN
26
Q1
24
5%
13
MIN
13
RANGE
167
IQR
17.2
STD
17.8
VAR
317
KURT.
5.92
SKEW
1.54
SUM
99,819
202
vsa_pol
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
211
(7%)
MAX
430
95%
113
Q3
80
AVG
70
MEDIAN
66
Q1
53
5%
41
MIN
41
RANGE
389
IQR
27.1
STD
26.2
VAR
686
KURT.
48.7
SKEW
4.43
SUM
209k
203
Weight
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,197
(40%)
MAX
1,547
95%
581
Q3
455
AVG
409
MEDIAN
393
Q1
345
5%
265
MIN
75
RANGE
1,472
IQR
109
STD
116
VAR
13,388
KURT.
17.1
SKEW
2.60
SUM
1.2M
204
weinerPath
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
1,248
(42%)
MAX
115k
95%
7k
Q3
4k
AVG
3k
MEDIAN
2k
Q1
2k
5%
1k
MIN
0k
RANGE
115k
IQR
1,775
STD
5,027
VAR
25.3M
KURT.
300
SKEW
14.9
SUM
9.7M
205
weinerPol
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
103
(3%)
MAX
153
95%
66
Q3
49
AVG
43
MEDIAN
41
Q1
33
5%
24
MIN
2
RANGE
151
IQR
16.0
STD
15.6
VAR
243
KURT.
10.8
SKEW
2.27
SUM
128k
206
zagreb
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
125
(4%)
MAX
516
95%
210
Q3
164
AVG
147
MEDIAN
144
Q1
122
5%
92
MIN
16
RANGE
500
IQR
42.0
STD
43.9
VAR
1,923
KURT.
11.7
SKEW
2.12
SUM
438k
207
Protein_descriptors_HDAC1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
100.0
Q3
100.0
MEDIAN
69.6
AVG
61.4
Q1
18.4
5%
15.6
MIN
14.8
RANGE
85.2
IQR
81.6
STD
36.1
VAR
1,305
KURT.
-1.71
SKEW
-0.144
SUM
183k
208
Protein_descriptors_HDAC2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
100.0
Q3
93.5
MEDIAN
68.4
AVG
59.1
Q1
17.9
5%
15.0
MIN
14.9
RANGE
85.1
IQR
75.6
STD
34.4
VAR
1,187
KURT.
-1.70
SKEW
-0.176
SUM
176k
209
Protein_descriptors_HDAC3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
100.0
Q3
69.6
MEDIAN
68.4
AVG
51.8
Q1
17.6
5%
13.5
MIN
13.5
RANGE
86.5
IQR
52.0
STD
28.4
VAR
809
KURT.
-1.21
SKEW
-0.115
SUM
155k
210
Protein_descriptors_HDAC4
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
100.0
Q3
30.9
AVG
29.7
MEDIAN
18.4
Q1
17.7
5%
17.6
MIN
15.7
RANGE
84.3
IQR
13.2
STD
23.7
VAR
561
KURT.
3.53
SKEW
2.19
SUM
88,582
211
Protein_descriptors_HDAC5
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
66.6
Q3
25.1
AVG
24.7
MEDIAN
15.6
Q1
15.5
5%
14.8
MIN
12.9
RANGE
87.1
IQR
9.60
STD
18.8
VAR
355
KURT.
3.96
SKEW
2.18
SUM
73,686
212
Protein_descriptors_HDAC6
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
100.0
Q3
30.9
AVG
31.0
MEDIAN
16.0
Q1
15.0
5%
13.5
MIN
12.2
RANGE
87.8
IQR
15.9
STD
30.7
VAR
941
KURT.
1.18
SKEW
1.73
SUM
92,553
213
Protein_descriptors_HDAC7
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
56.7
Q3
28.2
AVG
25.3
MEDIAN
17.2
Q1
17.0
5%
16.7
MIN
16.7
RANGE
83.3
IQR
11.2
STD
16.2
VAR
261
KURT.
6.91
SKEW
2.51
SUM
75,440
214
Protein_descriptors_HDAC8
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
100.0
Q3
47.6
MEDIAN
47.6
AVG
43.8
Q1
17.7
5%
13.6
MIN
13.6
RANGE
86.4
IQR
29.9
STD
25.9
VAR
673
KURT.
0.243
SKEW
0.855
SUM
131k
215
Protein_descriptors_HDAC9
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
66.6
Q3
23.1
AVG
24.8
MEDIAN
15.0
Q1
14.8
5%
14.8
MIN
14.8
RANGE
85.2
IQR
8.30
STD
20.1
VAR
404
KURT.
4.91
SKEW
2.38
SUM
74,032
216
Protein_descriptors_HDAC10
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
100.0
95%
31.4
Q3
26.9
AVG
26.8
MEDIAN
26.3
Q1
22.6
5%
17.2
MIN
15.4
RANGE
84.6
IQR
4.30
STD
12.0
VAR
143
KURT.
29.2
SKEW
5.15
SUM
80,022
217
Protein_descriptors_HDAC11
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
218
crossterm_pr_pr1
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
10,000
Q3
9,350
MEDIAN
6,840
AVG
5,905
Q1
1,790
5%
1,500
MIN
1,490
RANGE
8,510
IQR
7,560
STD
3,445
VAR
11.9M
KURT.
-1.70
SKEW
-0.176
SUM
17.6M
219
crossterm_pr_pr2
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
10,000
Q3
6,960
MEDIAN
6,840
AVG
5,183
Q1
1,760
5%
1,350
MIN
1,350
RANGE
8,650
IQR
5,200
STD
2,844
VAR
8.1M
KURT.
-1.21
SKEW
-0.115
SUM
15.5M
220
crossterm_pr_pr3
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
10,000
Q3
3,090
AVG
2,969
MEDIAN
1,840
Q1
1,770
5%
1,760
MIN
1,570
RANGE
8,430
IQR
1,320
STD
2,368
VAR
5.6M
KURT.
3.53
SKEW
2.19
SUM
8.9M
221
crossterm_pr_pr4
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
6,660
Q3
2,510
AVG
2,469
MEDIAN
1,560
Q1
1,550
5%
1,480
MIN
1,290
RANGE
8,710
IQR
960
STD
1,883
VAR
3.5M
KURT.
3.96
SKEW
2.18
SUM
7.4M
222
crossterm_pr_pr5
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
10,000
Q3
3,090
AVG
3,102
MEDIAN
1,600
Q1
1,500
5%
1,350
MIN
1,220
RANGE
8,780
IQR
1,590
STD
3,067
VAR
9.4M
KURT.
1.18
SKEW
1.73
SUM
9.3M
223
crossterm_pr_pr6
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
5,670
Q3
2,820
AVG
2,528
MEDIAN
1,720
Q1
1,700
5%
1,670
MIN
1,670
RANGE
8,330
IQR
1,120
STD
1,617
VAR
2.6M
KURT.
6.91
SKEW
2.51
SUM
7.5M
224
crossterm_pr_pr7
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
10,000
Q3
4,760
MEDIAN
4,760
AVG
4,382
Q1
1,770
5%
1,360
MIN
1,360
RANGE
8,640
IQR
2,990
STD
2,594
VAR
6.7M
KURT.
0.243
SKEW
0.855
SUM
13.1M
225
crossterm_pr_pr8
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
6,660
Q3
2,310
AVG
2,481
MEDIAN
1,500
Q1
1,480
5%
1,480
MIN
1,480
RANGE
8,520
IQR
830
STD
2,011
VAR
4.0M
KURT.
4.91
SKEW
2.38
SUM
7.4M
226
crossterm_pr_pr9
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
10,000
95%
3,140
Q3
2,690
AVG
2,682
MEDIAN
2,630
Q1
2,260
5%
1,720
MIN
1,540
RANGE
8,460
IQR
430
STD
1,195
VAR
1.4M
KURT.
29.2
SKEW
5.15
SUM
8.0M
227
crossterm_pr_pr10
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
228
crossterm_pr_pr11
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
9,350
95%
9,350
Q3
6,508
MEDIAN
6,395
AVG
4,846
Q1
1,646
5%
1,262
MIN
1,262
RANGE
8,088
IQR
4,862
STD
2,659
VAR
7.1M
KURT.
-1.21
SKEW
-0.115
SUM
14.5M
229
crossterm_pr_pr12
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
9,350
95%
9,350
Q3
2,889
AVG
2,776
MEDIAN
1,720
Q1
1,655
5%
1,646
MIN
1,468
RANGE
7,882
IQR
1,234
STD
2,214
VAR
4.9M
KURT.
3.53
SKEW
2.19
SUM
8.3M
230
crossterm_pr_pr13
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
9,350
95%
6,227
Q3
2,347
AVG
2,309
MEDIAN
1,459
Q1
1,449
5%
1,384
MIN
1,206
RANGE
8,144
IQR
898
STD
1,761
VAR
3.1M
KURT.
3.96
SKEW
2.18
SUM
6.9M
231
crossterm_pr_pr14
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
9,350
95%
9,350
Q3
2,889
AVG
2,900
MEDIAN
1,496
Q1
1,402
5%
1,262
MIN
1,141
RANGE
8,209
IQR
1,487
STD
2,868
VAR
8.2M
KURT.
1.18
SKEW
1.73
SUM
8.7M
232
crossterm_pr_pr15
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
9,350
95%
5,301
Q3
2,637
AVG
2,364
MEDIAN
1,608
Q1
1,590
5%
1,561
MIN
1,561
RANGE
7,789
IQR
1,047
STD
1,512
VAR
2.3M
KURT.
6.91
SKEW
2.51
SUM
7.1M
233
crossterm_pr_pr16
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
9,350
95%
9,350
Q3
4,451
MEDIAN
4,451
AVG
4,097
Q1
1,655
5%
1,272
MIN
1,272
RANGE
8,078
IQR
2,796
STD
2,425
VAR
5.9M
KURT.
0.243
SKEW
0.855
SUM
12.2M
234
crossterm_pr_pr17
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
9,350
95%
6,227
Q3
2,160
AVG
2,320
MEDIAN
1,402
Q1
1,384
5%
1,384
MIN
1,384
RANGE
7,966
IQR
776
STD
1,880
VAR
3.5M
KURT.
4.91
SKEW
2.38
SUM
6.9M
235
crossterm_pr_pr18
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
9,350
95%
2,936
Q3
2,515
AVG
2,507
MEDIAN
2,459
Q1
2,113
5%
1,608
MIN
1,440
RANGE
7,910
IQR
402
STD
1,118
VAR
1.2M
KURT.
29.2
SKEW
5.15
SUM
7.5M
236
crossterm_pr_pr19
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
237
crossterm_pr_pr20
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
6,960
95%
6,960
Q3
2,151
AVG
2,066
MEDIAN
1,281
Q1
1,232
5%
1,225
MIN
1,093
RANGE
5,867
IQR
919
STD
1,648
VAR
2.7M
KURT.
3.53
SKEW
2.19
SUM
6.2M
238
crossterm_pr_pr21
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
6,960
95%
4,635
Q3
1,747
AVG
1,719
MEDIAN
1,086
Q1
1,079
5%
1,030
MIN
898
RANGE
6,062
IQR
668
STD
1,311
VAR
1.7M
KURT.
3.96
SKEW
2.18
SUM
5.1M
239
crossterm_pr_pr22
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
6,960
95%
6,960
Q3
2,151
AVG
2,159
MEDIAN
1,114
Q1
1,044
5%
940
MIN
849
RANGE
6,111
IQR
1,107
STD
2,135
VAR
4.6M
KURT.
1.18
SKEW
1.73
SUM
6.4M
240
crossterm_pr_pr23
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
6,960
95%
3,946
Q3
1,963
AVG
1,760
MEDIAN
1,197
Q1
1,183
5%
1,162
MIN
1,162
RANGE
5,798
IQR
780
STD
1,125
VAR
1.3M
KURT.
6.91
SKEW
2.51
SUM
5.3M
241
crossterm_pr_pr24
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
6,960
95%
6,960
Q3
3,313
MEDIAN
3,313
AVG
3,050
Q1
1,232
5%
947
MIN
947
RANGE
6,013
IQR
2,081
STD
1,805
VAR
3.3M
KURT.
0.243
SKEW
0.855
SUM
9.1M
242
crossterm_pr_pr25
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
6,960
95%
4,635
Q3
1,608
AVG
1,727
MEDIAN
1,044
Q1
1,030
5%
1,030
MIN
1,030
RANGE
5,930
IQR
578
STD
1,400
VAR
2.0M
KURT.
4.91
SKEW
2.38
SUM
5.2M
243
crossterm_pr_pr26
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
6,960
95%
2,185
Q3
1,872
AVG
1,866
MEDIAN
1,830
Q1
1,573
5%
1,197
MIN
1,072
RANGE
5,888
IQR
299
STD
832
VAR
692k
KURT.
29.2
SKEW
5.15
SUM
5.6M
244
crossterm_pr_pr27
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
245
crossterm_pr_pr28
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,840
95%
1,225
Q3
462
AVG
454
MEDIAN
287
Q1
285
5%
272
MIN
237
RANGE
1,603
IQR
177
STD
347
VAR
120k
KURT.
3.96
SKEW
2.18
SUM
1.4M
246
crossterm_pr_pr29
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,840
95%
1,840
Q3
569
AVG
571
MEDIAN
294
Q1
276
5%
248
MIN
224
RANGE
1,616
IQR
293
STD
564
VAR
318k
KURT.
1.18
SKEW
1.73
SUM
1.7M
247
crossterm_pr_pr30
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,840
95%
1,043
Q3
519
AVG
465
MEDIAN
316
Q1
313
5%
307
MIN
307
RANGE
1,533
IQR
206
STD
297
VAR
88,490
KURT.
6.91
SKEW
2.51
SUM
1.4M
248
crossterm_pr_pr31
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,840
95%
1,840
Q3
876
MEDIAN
876
AVG
806
Q1
326
5%
250
MIN
250
RANGE
1,590
IQR
550
STD
477
VAR
228k
KURT.
0.243
SKEW
0.855
SUM
2.4M
249
crossterm_pr_pr32
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,840
95%
1,225
Q3
425
AVG
456
MEDIAN
276
Q1
272
5%
272
MIN
272
RANGE
1,568
IQR
153
STD
370
VAR
137k
KURT.
4.91
SKEW
2.38
SUM
1.4M
250
crossterm_pr_pr33
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,840
95%
578
Q3
495
AVG
493
MEDIAN
484
Q1
416
5%
316
MIN
283
RANGE
1,557
IQR
79.1
STD
220
VAR
48,370
KURT.
29.2
SKEW
5.15
SUM
1.5M
251
crossterm_pr_pr34
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
252
crossterm_pr_pr35
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,560
95%
1,560
Q3
482
AVG
484
MEDIAN
250
Q1
234
5%
211
MIN
190
RANGE
1,370
IQR
248
STD
478
VAR
229k
KURT.
1.18
SKEW
1.73
SUM
1.4M
253
crossterm_pr_pr36
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,560
95%
885
Q3
440
AVG
394
MEDIAN
268
Q1
265
5%
261
MIN
261
RANGE
1,299
IQR
175
STD
252
VAR
63,607
KURT.
6.91
SKEW
2.51
SUM
1.2M
254
crossterm_pr_pr37
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,560
95%
1,560
Q3
743
MEDIAN
743
AVG
684
Q1
276
5%
212
MIN
212
RANGE
1,348
IQR
466
STD
405
VAR
164k
KURT.
0.243
SKEW
0.855
SUM
2.0M
255
crossterm_pr_pr38
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,560
95%
1,039
Q3
360
AVG
387
MEDIAN
234
Q1
231
5%
231
MIN
231
RANGE
1,329
IQR
129
STD
314
VAR
98,430
KURT.
4.91
SKEW
2.38
SUM
1.2M
256
crossterm_pr_pr39
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,560
95%
490
Q3
420
AVG
418
MEDIAN
410
Q1
353
5%
268
MIN
240
RANGE
1,320
IQR
67.1
STD
186
VAR
34,769
KURT.
29.2
SKEW
5.15
SUM
1.2M
257
crossterm_pr_pr40
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
258
crossterm_pr_pr41
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,600
95%
907
Q3
451
AVG
405
MEDIAN
275
Q1
272
5%
267
MIN
267
RANGE
1,333
IQR
179
STD
259
VAR
66,911
KURT.
6.91
SKEW
2.51
SUM
1.2M
259
crossterm_pr_pr42
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,600
95%
1,600
Q3
762
MEDIAN
762
AVG
701
Q1
283
5%
218
MIN
218
RANGE
1,382
IQR
478
STD
415
VAR
172k
KURT.
0.243
SKEW
0.855
SUM
2.1M
260
crossterm_pr_pr43
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,600
95%
1,066
Q3
370
AVG
397
MEDIAN
240
Q1
237
5%
237
MIN
237
RANGE
1,363
IQR
133
STD
322
VAR
104k
KURT.
4.91
SKEW
2.38
SUM
1.2M
261
crossterm_pr_pr44
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,600
95%
502
Q3
430
AVG
429
MEDIAN
421
Q1
362
5%
275
MIN
246
RANGE
1,354
IQR
68.8
STD
191
VAR
36,575
KURT.
29.2
SKEW
5.15
SUM
1.3M
262
crossterm_pr_pr45
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
263
crossterm_pr_pr46
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,720
95%
1,720
Q3
819
MEDIAN
819
AVG
754
Q1
304
5%
234
MIN
234
RANGE
1,486
IQR
514
STD
446
VAR
199k
KURT.
0.243
SKEW
0.855
SUM
2.2M
264
crossterm_pr_pr47
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,720
95%
1,146
Q3
397
AVG
427
MEDIAN
258
Q1
255
5%
255
MIN
255
RANGE
1,465
IQR
143
STD
346
VAR
120k
KURT.
4.91
SKEW
2.38
SUM
1.3M
265
crossterm_pr_pr48
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,720
95%
540
Q3
463
AVG
461
MEDIAN
452
Q1
389
5%
296
MIN
265
RANGE
1,455
IQR
74.0
STD
206
VAR
42,266
KURT.
29.2
SKEW
5.15
SUM
1.4M
266
crossterm_pr_pr49
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
267
crossterm_pr_pr50
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
4,760
95%
3,170
Q3
1,100
AVG
1,181
MEDIAN
714
Q1
704
5%
704
MIN
704
RANGE
4,056
IQR
395
STD
957
VAR
916k
KURT.
4.91
SKEW
2.38
SUM
3.5M
268
crossterm_pr_pr51
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
4,760
95%
1,495
Q3
1,280
AVG
1,276
MEDIAN
1,252
Q1
1,076
5%
819
MIN
733
RANGE
4,027
IQR
205
STD
569
VAR
324k
KURT.
29.2
SKEW
5.15
SUM
3.8M
269
crossterm_pr_pr52
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
270
crossterm_pr_pr53
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
11
(0%)
MAX
1,480
95%
465
Q3
398
AVG
397
MEDIAN
389
Q1
334
5%
255
MIN
228
RANGE
1,252
IQR
63.6
STD
177
VAR
31,294
KURT.
29.2
SKEW
5.15
SUM
1.2M
271
crossterm_pr_pr54
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
272
crossterm_pr_pr55
VALUES:
2,984
(100%)
MISSING:
---
DISTINCT:
10
(0%)
pIC50
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SlogP_VSA1
-0.23
balabanJ
0.22
PEOE_RPC-
0.19
VDistEq
-0.19
PEOE_VSA+1
-0.16
PEOE_RPC+
0.16
b_max1len
-0.15
SMR_VSA4
-0.15
h_pKa
-0.15
a_nN
-0.15
GCUT_SMR_2
-0.15
GCUT_PEOE_1
0.14
radius
-0.14
b_ar
-0.14

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
0.31
crossterm_pr_pr10
0.31
crossterm_pr_pr19
0.31
crossterm_pr_pr27
0.31
crossterm_pr_pr34
0.31
crossterm_pr_pr40
0.31
crossterm_pr_pr45
0.31
crossterm_pr_pr49
0.31
crossterm_pr_pr52
0.31
crossterm_pr_pr54
0.31
crossterm_pr_pr55
0.31
rings
0.25
ast_violation
0.24
opr_nring
0.24
MOST FREQUENT VALUES
1.4771212
36
1.2%
1.30103
33
1.1%
1.60206
29
1.0%
2.0
28
0.9%
1.69897
28
0.9%
1.0
25
0.8%
2.2041199000000002
23
0.8%
1.1760913
19
0.6%
1.0791812
19
0.6%
1.7993406000000003
19
0.6%
2.0791812
18
0.6%
1.1139433
18
0.6%
2.3010299
18
0.6%
1.0413927
17
0.6%
3.7403626000000005
16
0.5%
SMALLEST VALUES
-2.6989701
1
0.0%
-0.85387194
1
0.0%
-0.74472749
1
0.0%
-0.69897002
1
0.0%
-0.52287877
1
0.0%
-0.39794001
2
0.1%
-0.32790214
1
0.0%
-0.30103001
1
0.0%
-0.27572414
2
0.1%
-0.22184876
3
0.1%
-0.15490197
1
0.0%
-0.11918641
1
0.0%
-0.10790539999999998
2
0.1%
-0.096910015
3
0.1%
-0.045757491
3
0.1%
LARGEST VALUES
5.832509
1
0.0%
5.7958798
1
0.0%
5.748188
1
0.0%
5.7242761
1
0.0%
5.5563025
1
0.0%
5.531478900000001
2
0.1%
5.5185142
1
0.0%
5.4969296
1
0.0%
5.4116197
1
0.0%
5.322219400000001
1
0.0%
5.2552724
1
0.0%
5.1760912
1
0.0%
5.1461282
1
0.0%
5.079181200000001
2
0.1%
5.078094
1
0.0%
Associations
Showing ONLY dataset "DataFrame"
• SQUARES are categorical associations (uncertainty coefficient & correlation ratio) from 0 to 1. The uncertainty coefficient is assymmetrical, (approximating how much the elements on the left PROVIDE INFORMATION on elements in the row).
• CIRCLES are numerical correlations (Pearson's) from -1 to 1.
• The trivial DIAGONAL is intentionally left blank for clarity.
Associations
Showing ONLY dataset "None"
• SQUARES are categorical associations (uncertainty coefficient & correlation ratio) from 0 to 1. The uncertainty coefficient is assymmetrical, (approximating how much the elements on the left PROVIDE INFORMATION on elements in the row).
• CIRCLES are numerical correlations (Pearson's) from -1 to 1.
• The trivial DIAGONAL is intentionally left blank for clarity.
pIC50
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SlogP_VSA1
-0.23
balabanJ
0.22
PEOE_RPC-
0.19
VDistEq
-0.19
PEOE_VSA+1
-0.16
PEOE_RPC+
0.16
b_max1len
-0.15
SMR_VSA4
-0.15
h_pKa
-0.15
a_nN
-0.15
GCUT_SMR_2
-0.15
GCUT_PEOE_1
0.14
radius
-0.14
b_ar
-0.14

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
0.31
crossterm_pr_pr10
0.31
crossterm_pr_pr19
0.31
crossterm_pr_pr27
0.31
crossterm_pr_pr34
0.31
crossterm_pr_pr40
0.31
crossterm_pr_pr45
0.31
crossterm_pr_pr49
0.31
crossterm_pr_pr52
0.31
crossterm_pr_pr54
0.31
crossterm_pr_pr55
0.31
rings
0.25
ast_violation
0.24
opr_nring
0.24
MOST FREQUENT VALUES
1.4771212
36
1.2%
1.30103
33
1.1%
1.60206
29
1.0%
2.0
28
0.9%
1.69897
28
0.9%
1.0
25
0.8%
2.2041199000000002
23
0.8%
1.1760913
19
0.6%
1.0791812
19
0.6%
1.7993406000000003
19
0.6%
2.0791812
18
0.6%
1.1139433
18
0.6%
2.3010299
18
0.6%
1.0413927
17
0.6%
3.7403626000000005
16
0.5%
SMALLEST VALUES
-2.6989701
1
0.0%
-0.85387194
1
0.0%
-0.74472749
1
0.0%
-0.69897002
1
0.0%
-0.52287877
1
0.0%
-0.39794001
2
0.1%
-0.32790214
1
0.0%
-0.30103001
1
0.0%
-0.27572414
2
0.1%
-0.22184876
3
0.1%
-0.15490197
1
0.0%
-0.11918641
1
0.0%
-0.10790539999999998
2
0.1%
-0.096910015
3
0.1%
-0.045757491
3
0.1%
LARGEST VALUES
5.832509
1
0.0%
5.7958798
1
0.0%
5.748188
1
0.0%
5.7242761
1
0.0%
5.5563025
1
0.0%
5.531478900000001
2
0.1%
5.5185142
1
0.0%
5.4969296
1
0.0%
5.4116197
1
0.0%
5.322219400000001
1
0.0%
5.2552724
1
0.0%
5.1760912
1
0.0%
5.1461282
1
0.0%
5.079181200000001
2
0.1%
5.078094
1
0.0%
apol
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_count
1.00
chi0v
0.99
a_count
0.99
h_mr
0.99
mr
0.99
vdw_vol
0.99
SMR
0.99
chi1v
0.99
Q_VSA_HYD
0.99
Q_VSA_POS
0.99
vdw_area
0.99
chi0v_C
0.98
chi0
0.98
a_heavy
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.77
lip_violation
0.73
a_don
0.66
lip_don
0.64
opr_leadlike
0.62
lip_druglike
0.62
ast_violation_ext
0.61
ast_violation
0.61
rings
0.57
b_double
0.48
opr_nring
0.47
ast_fraglike
0.37
ast_fraglike_ext
0.29
reactive
0.28
MOST FREQUENT VALUES
57.200237
30
1.0%
72.349373
26
0.9%
71.015793
25
0.8%
58.967032999999994
21
0.7%
63.295826
20
0.7%
72.668205
17
0.6%
66.279617
17
0.6%
53.524239
16
0.5%
49.195446000000004
14
0.5%
66.389412
14
0.5%
60.564240000000005
13
0.4%
42.58186
13
0.4%
74.593414
13
0.4%
62.053825
13
0.4%
41.667896
12
0.4%
SMALLEST VALUES
9.557965300000001
1
0.0%
15.745137
5
0.2%
19.265137
4
0.1%
21.272308
1
0.0%
22.358723
4
0.1%
22.785137
2
0.1%
24.365894
1
0.0%
24.545137
2
0.1%
25.878723
3
0.1%
27.309343
7
0.2%
27.45948
1
0.0%
28.11948
7
0.2%
28.440723
3
0.1%
28.505136
1
0.0%
28.972309000000003
6
0.2%
LARGEST VALUES
243.03636
2
0.1%
239.94277999999997
1
0.0%
236.8492
1
0.0%
178.10175
1
0.0%
177.30655
1
0.0%
175.00816
1
0.0%
174.21295
2
0.1%
171.91458
2
0.1%
171.11937
2
0.1%
168.82098
1
0.0%
168.02579
1
0.0%
167.96136
2
0.1%
165.7274
2
0.1%
158.95865
1
0.0%
155.86507
1
0.0%
ast_fraglike
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,810
94%
2.26
1
174
6%
3.21
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
ast_fraglike
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON ast_fraglike:
ast_violation
1.00
ast_violation_ext
0.82
ast_fraglike_ext
0.44
rings
0.29
opr_nring
0.26
opr_violation
0.16
a_don
0.14
lip_don
0.12
opr_leadlike
0.09
b_double
0.09
lip_violation
0.06
a_nS
0.04
crossterm_pr_pr55
0.04
lip_druglike
0.03

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_fraglike
CORRELATION RATIO WITH...
VAdjEq
0.59
PEOE_RPC-
0.58
PEOE_RPC+
0.57
VAdjMa
0.55
VDistMa
0.54
VDistEq
0.51
balabanJ
0.42
h_logS
0.42
SMR
0.40
mr
0.39
b_heavy
0.39
h_mr
0.39
chi1
0.39
vdw_vol
0.39
ast_fraglike_ext
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,892
97%
2.28
1
92
3%
3.18
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
ast_fraglike_ext
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON ast_fraglike_ext:
ast_violation_ext
1.00
ast_fraglike
0.71
ast_violation
0.71
lip_don
0.16
a_don
0.16
rings
0.16
opr_nring
0.14
opr_violation
0.14
b_double
0.09
crossterm_pr_pr55
0.08
opr_leadlike
0.08
Protein_descriptors_HDAC11
0.06
crossterm_pr_pr10
0.06
crossterm_pr_pr19
0.06

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_fraglike_ext
CORRELATION RATIO WITH...
PEOE_RPC+
0.52
VAdjEq
0.50
VDistEq
0.48
PEOE_RPC-
0.48
VAdjMa
0.43
VDistMa
0.43
diameter
0.34
radius
0.34
SMR
0.31
mr
0.31
h_mr
0.31
PEOE_VSA_POS
0.31
vdw_vol
0.30
chi1
0.30
ast_violation
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
3
1,319
44%
2.29
2
847
28%
2.33
4
468
16%
1.95
1
176
6%
2.48
0
174
6%
3.21
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
ast_violation
PROVIDES INFORMATION ON...
ast_fraglike
1.00
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00

THESE FEATURES GIVE INFORMATION
ON ast_violation:
ast_violation_ext
0.75
a_don
0.25
lip_don
0.24
ast_fraglike
0.17
opr_violation
0.16
rings
0.11
opr_leadlike
0.10
opr_nring
0.09
lip_violation
0.08
ast_fraglike_ext
0.07
lip_druglike
0.06
b_double
0.04
crossterm_pr_pr55
0.03
Protein_descriptors_HDAC11
0.03

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation
CORRELATION RATIO WITH...
VAdjEq
0.78
VDistMa
0.74
VAdjMa
0.74
PEOE_RPC-
0.72
PEOE_RPC+
0.71
VDistEq
0.68
SMR
0.65
Weight
0.64
h_mr
0.64
mr
0.64
chi1
0.64
b_heavy
0.64
vdw_vol
0.64
a_heavy
0.64
ast_violation_ext
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
5
946
32%
2.31
4
722
24%
2.31
3
504
17%
2.30
6
457
15%
1.95
2
186
6%
2.43
0
92
3%
3.18
1
77
3%
3.28
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
ast_violation_ext
PROVIDES INFORMATION ON...
ast_fraglike_ext
1.00
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00

THESE FEATURES GIVE INFORMATION
ON ast_violation_ext:
ast_violation
0.60
a_don
0.26
lip_don
0.26
opr_violation
0.15
ast_fraglike
0.11
opr_leadlike
0.10
ast_fraglike_ext
0.08
lip_violation
0.07
rings
0.07
opr_nring
0.06
b_double
0.06
lip_druglike
0.05
crossterm_pr_pr55
0.05
Protein_descriptors_HDAC11
0.05

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
CORRELATION RATIO WITH...
PEOE_RPC+
0.79
VAdjEq
0.79
PEOE_RPC-
0.79
VDistEq
0.75
VDistMa
0.73
VAdjMa
0.72
diameter
0.67
radius
0.66
Weight
0.66
a_donacc
0.66
Kier2
0.65
lip_acc
0.65
a_IC
0.65
Kier1
0.65
a_acc
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_donacc
0.95
h_ema
0.94
lip_acc
0.92
PEOE_PC-
-0.90
PEOE_PC+
0.90
TPSA
0.87
a_IC
0.86
KierA1
0.85
h_emd_C
0.84
Kier1
0.84
Weight
0.84
chi0
0.83
vsa_pol
0.83
Q_VSA_HYD
0.83

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.68
opr_violation
0.66
lip_don
0.65
lip_violation
0.65
ast_violation_ext
0.60
lip_druglike
0.56
ast_violation
0.53
opr_leadlike
0.53
b_double
0.46
rings
0.41
opr_nring
0.32
reactive
0.31
ast_fraglike
0.27
crossterm_pr_pr55
0.24
MOST FREQUENT VALUES
5
797
26.7%
4
765
25.6%
3
605
20.3%
6
380
12.7%
2
175
5.9%
7
123
4.1%
8
45
1.5%
9
41
1.4%
17
13
0.4%
10
11
0.4%
13
8
0.3%
14
8
0.3%
15
7
0.2%
23
4
0.1%
16
2
0.1%
SMALLEST VALUES
2
175
5.9%
3
605
20.3%
4
765
25.6%
5
797
26.7%
6
380
12.7%
7
123
4.1%
8
45
1.5%
9
41
1.4%
10
11
0.4%
13
8
0.3%
14
8
0.3%
15
7
0.2%
16
2
0.1%
17
13
0.4%
23
4
0.1%
LARGEST VALUES
23
4
0.1%
17
13
0.4%
16
2
0.1%
15
7
0.2%
14
8
0.3%
13
8
0.3%
10
11
0.4%
9
41
1.4%
8
45
1.5%
7
123
4.1%
6
380
12.7%
5
797
26.7%
4
765
25.6%
3
605
20.3%
2
175
5.9%
a_acid
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_acid
PROVIDES INFORMATION ON...
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON a_acid:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00
b_double
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_acid
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
a_aro
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_ar
1.00
h_log_pbo
0.90
SlogP_VSA7
0.82
h_logS
-0.68
balabanJ
-0.68
opr_brigid
0.64
BCUT_SMR_2
0.59
logS
-0.58
SlogP
0.57
SMR_VSA5
0.57
BCUT_SLOGP_2
0.56
h_logP
0.53
VAdjMa
0.52
BCUT_PEOE_1
-0.52

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.73
rings
0.70
ast_violation
0.38
opr_violation
0.34
b_double
0.33
ast_violation_ext
0.32
lip_violation
0.32
opr_leadlike
0.27
ast_fraglike
0.25
lip_druglike
0.22
ast_fraglike_ext
0.18
lip_don
0.18
a_nCl
0.16
a_don
0.16
MOST FREQUENT VALUES
12
606
20.3%
6
415
13.9%
15
374
12.5%
11
318
10.7%
17
270
9.0%
18
172
5.8%
16
162
5.4%
10
131
4.4%
21
122
4.1%
0
91
3.0%
5
75
2.5%
9
75
2.5%
20
34
1.1%
23
28
0.9%
22
25
0.8%
SMALLEST VALUES
0
91
3.0%
5
75
2.5%
6
415
13.9%
9
75
2.5%
10
131
4.4%
11
318
10.7%
12
606
20.3%
13
5
0.2%
14
16
0.5%
15
374
12.5%
16
162
5.4%
17
270
9.0%
18
172
5.8%
19
3
0.1%
20
34
1.1%
LARGEST VALUES
35
1
0.0%
30
4
0.1%
28
5
0.2%
27
15
0.5%
26
18
0.6%
24
19
0.6%
23
28
0.9%
22
25
0.8%
21
122
4.1%
20
34
1.1%
19
3
0.1%
18
172
5.8%
17
270
9.0%
16
162
5.4%
15
374
12.5%
a_base
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,980
99%
2.31
1
3
0%
4.36
2
1
0%
4.15
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_base
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
FCharge
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00

THESE FEATURES GIVE INFORMATION
ON a_base:
FCharge
1.00
vsa_base
1.00
opr_nring
0.65
rings
0.65
ast_violation_ext
0.42
lip_don
0.39
ast_fraglike
0.35
ast_violation
0.35
Protein_descriptors_HDAC11
0.25
crossterm_pr_pr10
0.25
crossterm_pr_pr19
0.25
crossterm_pr_pr27
0.25
crossterm_pr_pr34
0.25
crossterm_pr_pr40
0.25

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_base
CORRELATION RATIO WITH...
GCUT_SLOGP_0
0.72
PEOE_VSA_FPPOS
0.29
GCUT_SMR_0
0.27
h_logP
0.27
h_logS
0.22
PEOE_VSA+6
0.20
BCUT_SLOGP_0
0.20
balabanJ
0.17
PEOE_RPC-
0.16
h_logD
0.16
h_emd
0.16
PEOE_VSA_FPOL
0.15
PEOE_VSA_FHYD
0.15
VAdjMa
0.15
a_count
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_count
1.00
apol
0.99
chi0v
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98
vdw_area
0.98
bpol
0.98
chi0v_C
0.98
a_nH
0.97
chi1v
0.97
Kier1
0.97
KierA1
0.97
a_IC
0.97
chi0
0.97

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.75
lip_violation
0.71
a_don
0.68
lip_don
0.66
lip_druglike
0.61
opr_leadlike
0.60
ast_violation_ext
0.58
ast_violation
0.58
rings
0.50
b_double
0.50
opr_nring
0.39
ast_fraglike
0.34
reactive
0.29
ast_fraglike_ext
0.27
MOST FREQUENT VALUES
49
129
4.3%
52
127
4.3%
47
124
4.2%
44
110
3.7%
56
106
3.6%
55
102
3.4%
53
100
3.4%
45
96
3.2%
59
96
3.2%
48
93
3.1%
63
90
3.0%
57
88
2.9%
65
88
2.9%
51
84
2.8%
58
83
2.8%
SMALLEST VALUES
10
1
0.0%
16
5
0.2%
18
4
0.1%
20
2
0.1%
21
6
0.2%
22
1
0.0%
23
3
0.1%
24
8
0.3%
25
6
0.2%
26
8
0.3%
27
2
0.1%
28
13
0.4%
29
3
0.1%
30
18
0.6%
31
6
0.2%
LARGEST VALUES
229
2
0.1%
226
1
0.0%
223
1
0.0%
169
2
0.1%
166
3
0.1%
163
4
0.1%
161
2
0.1%
160
2
0.1%
157
2
0.1%
148
1
0.0%
145
1
0.0%
142
2
0.1%
139
2
0.1%
138
4
0.1%
136
2
0.1%
a_don
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
2
1,109
37%
2.47
3
1,044
35%
2.32
4
598
20%
2.03
5
135
5%
2.02
6
53
2%
2.43
7
27
1%
2.64
9
8
0%
3.10
18
4
0%
3.09
8
4
0%
2.82
11
2
0%
1.84
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_don
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON a_don:
lip_don
0.88
ast_violation_ext
0.32
ast_violation
0.25
opr_violation
0.16
lip_violation
0.12
b_double
0.10
opr_leadlike
0.10
lip_druglike
0.09
crossterm_pr_pr55
0.05
Protein_descriptors_HDAC11
0.05
crossterm_pr_pr10
0.05
crossterm_pr_pr19
0.05
crossterm_pr_pr27
0.05
crossterm_pr_pr34
0.05

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
CORRELATION RATIO WITH...
weinerPath
0.89
a_donacc
0.87
vsa_don
0.86
h_emd
0.85
TPSA
0.85
vsa_pol
0.84
SlogP_VSA0
0.84
PEOE_VSA_POL
0.78
lip_acc
0.77
PEOE_VSA_PNEG
0.75
Kier2
0.75
b_rotN
0.74
Kier3
0.74
KierA2
0.73
a_donacc
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_acc
0.95
TPSA
0.94
lip_acc
0.94
h_ema
0.91
vsa_pol
0.91
h_emd
0.90
PEOE_PC-
-0.90
PEOE_PC+
0.90
a_IC
0.87
Kier1
0.86
KierA1
0.85
KierA2
0.85
Weight
0.84
chi0
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.87
lip_don
0.84
lip_violation
0.68
opr_violation
0.68
ast_violation_ext
0.66
lip_druglike
0.59
ast_violation
0.58
opr_leadlike
0.55
b_double
0.54
rings
0.37
opr_nring
0.29
reactive
0.26
ast_fraglike
0.26
crossterm_pr_pr55
0.25
MOST FREQUENT VALUES
6
550
18.4%
8
530
17.8%
7
503
16.9%
5
400
13.4%
9
373
12.5%
10
207
6.9%
4
134
4.5%
11
120
4.0%
13
52
1.7%
12
46
1.5%
14
16
0.5%
24
8
0.3%
19
8
0.3%
21
8
0.3%
22
7
0.2%
SMALLEST VALUES
4
134
4.5%
5
400
13.4%
6
550
18.4%
7
503
16.9%
8
530
17.8%
9
373
12.5%
10
207
6.9%
11
120
4.0%
12
46
1.5%
13
52
1.7%
14
16
0.5%
15
1
0.0%
16
6
0.2%
19
8
0.3%
20
4
0.1%
LARGEST VALUES
41
4
0.1%
24
8
0.3%
23
7
0.2%
22
7
0.2%
21
8
0.3%
20
4
0.1%
19
8
0.3%
16
6
0.2%
15
1
0.0%
14
16
0.5%
13
52
1.7%
12
46
1.5%
11
120
4.0%
10
207
6.9%
9
373
12.5%
a_heavy
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi1
1.00
chi0
1.00
b_heavy
1.00
vdw_vol
1.00
h_mr
0.99
mr
0.99
Weight
0.99
SMR
0.99
chi0v
0.99
zagreb
0.99
Kier1
0.98
apol
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.79
lip_violation
0.75
a_don
0.67
lip_don
0.65
lip_druglike
0.65
opr_leadlike
0.64
ast_violation_ext
0.64
ast_violation
0.64
rings
0.63
opr_nring
0.54
b_double
0.49
ast_fraglike
0.38
ast_fraglike_ext
0.30
reactive
0.28
MOST FREQUENT VALUES
26
237
7.9%
27
230
7.7%
28
190
6.4%
29
187
6.3%
30
182
6.1%
25
178
6.0%
31
171
5.7%
32
168
5.6%
24
162
5.4%
23
143
4.8%
33
142
4.8%
34
107
3.6%
22
105
3.5%
35
83
2.8%
21
70
2.3%
SMALLEST VALUES
5
1
0.0%
7
5
0.2%
9
5
0.2%
10
5
0.2%
11
10
0.3%
12
5
0.2%
13
6
0.2%
14
5
0.2%
15
4
0.1%
16
20
0.7%
17
23
0.8%
18
20
0.7%
19
50
1.7%
20
55
1.8%
21
70
2.3%
LARGEST VALUES
110
2
0.1%
109
1
0.0%
108
1
0.0%
76
1
0.0%
75
2
0.1%
74
4
0.1%
73
3
0.1%
72
3
0.1%
71
2
0.1%
69
1
0.0%
68
1
0.0%
67
2
0.1%
66
2
0.1%
63
2
0.1%
62
3
0.1%
a_hyd
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_nC
0.97
chi0_C
0.96
chi1_C
0.95
chi0v_C
0.94
vsa_hyd
0.94
zagreb
0.94
vdw_vol
0.94
chi1v_C
0.93
b_heavy
0.93
mr
0.93
SMR
0.93
h_mr
0.93
chi1
0.92
a_heavy
0.92

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.71
opr_violation
0.71
lip_violation
0.67
opr_nring
0.64
opr_leadlike
0.57
ast_violation
0.56
lip_druglike
0.54
ast_violation_ext
0.52
a_don
0.50
lip_don
0.47
ast_fraglike
0.37
b_double
0.33
ast_fraglike_ext
0.27
reactive
0.23
MOST FREQUENT VALUES
20
283
9.5%
19
265
8.9%
18
253
8.5%
21
251
8.4%
22
221
7.4%
17
211
7.1%
16
192
6.4%
15
184
6.2%
23
178
6.0%
14
142
4.8%
25
104
3.5%
24
103
3.5%
13
100
3.4%
26
97
3.3%
12
85
2.8%
SMALLEST VALUES
1
1
0.0%
3
5
0.2%
4
1
0.0%
5
5
0.2%
6
6
0.2%
7
11
0.4%
8
8
0.3%
9
11
0.4%
10
15
0.5%
11
30
1.0%
12
85
2.8%
13
100
3.4%
14
142
4.8%
15
184
6.2%
16
192
6.4%
LARGEST VALUES
57
2
0.1%
56
1
0.0%
55
1
0.0%
51
2
0.1%
50
3
0.1%
49
4
0.1%
48
2
0.1%
47
4
0.1%
45
1
0.0%
44
1
0.0%
43
2
0.1%
42
6
0.2%
41
3
0.1%
40
3
0.1%
39
4
0.1%
a_IC
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
KierA1
0.98
Kier1
0.98
chi0v
0.98
Weight
0.98
chi0
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98
vdw_area
0.98
chi1v
0.98
a_heavy
0.97
apol
0.97
a_count
0.97
b_count
0.97
h_mr
0.97

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.77
lip_violation
0.73
a_don
0.72
lip_don
0.70
ast_violation_ext
0.65
lip_druglike
0.64
opr_leadlike
0.63
ast_violation
0.62
b_double
0.51
rings
0.50
opr_nring
0.40
ast_fraglike
0.36
reactive
0.29
ast_fraglike_ext
0.29
MOST FREQUENT VALUES
72.08530400000001
31
1.0%
97.847725
26
0.9%
95.755737
25
0.8%
77.01593000000001
21
0.7%
87.406357
20
0.7%
76.402443
20
0.7%
97.145012
17
0.6%
104.90548999999999
17
0.6%
95.899986
16
0.5%
76.22274
16
0.5%
76.68656899999999
16
0.5%
65.86573800000001
15
0.5%
75.21788000000001
15
0.5%
90.97448
14
0.5%
97.21620899999999
13
0.4%
SMALLEST VALUES
17.60964
1
0.0%
25.470675
5
0.2%
29.01955
4
0.1%
31.909237
2
0.1%
32.533432
4
0.1%
33.180015999999995
2
0.1%
34.392139
1
0.0%
35.458851
3
0.1%
37.983273
1
0.0%
37.988911
1
0.0%
38.886435999999996
6
0.2%
39.119068
7
0.2%
40.068489
3
0.1%
40.2225
1
0.0%
41.249221999999996
1
0.0%
LARGEST VALUES
368.66292999999996
2
0.1%
365.07858
1
0.0%
361.48175
1
0.0%
247.82974
1
0.0%
247.18197999999998
1
0.0%
244.51217999999997
2
0.1%
243.85945
1
0.0%
241.18337999999997
2
0.1%
240.52548
2
0.1%
237.84291000000002
1
0.0%
237.17962999999997
1
0.0%
233.82137000000003
2
0.1%
232.98462
2
0.1%
222.0015
1
0.0%
218.64621
1
0.0%
a_ICM
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
density
0.91
GCUT_SMR_2
0.55
PEOE_VSA_FPNEG
0.52
SlogP_VSA1
0.49
PEOE_VSA_FPOL
0.47
PEOE_VSA_FHYD
-0.47
GCUT_SLOGP_2
0.47
GCUT_PEOE_1
-0.46
GCUT_SLOGP_3
-0.40
PEOE_RPC-
-0.39
chi1_C
-0.38
chi1v_C
-0.37
logP(o/w)
-0.37
GCUT_SLOGP_1
-0.37

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nS
0.59
a_nF
0.46
a_nCl
0.31
ast_violation_ext
0.26
opr_nring
0.21
a_don
0.20
rings
0.20
lip_don
0.19
chiral_u
0.13
opr_violation
0.13
a_nBr
0.13
b_double
0.12
ast_violation
0.12
crossterm_pr_pr55
0.12
MOST FREQUENT VALUES
1.4711287
31
1.0%
1.5053496000000002
26
0.9%
1.5199323999999999
25
0.8%
1.5101162000000001
21
0.7%
1.5280489
20
0.7%
1.5892065
20
0.7%
1.674914
17
0.6%
1.6920241000000003
17
0.6%
1.4469163
16
0.5%
1.5879736999999998
16
0.5%
1.6254236
16
0.5%
1.4969486
15
0.5%
1.4464976999999999
15
0.5%
1.5685256
14
0.5%
1.5676645
13
0.4%
SMALLEST VALUES
1.3004291000000001
1
0.0%
1.3030095
1
0.0%
1.3081111
1
0.0%
1.3081127000000001
2
0.1%
1.3139726999999999
2
0.1%
1.3178483
1
0.0%
1.32026
1
0.0%
1.3238173999999998
1
0.0%
1.3243957
2
0.1%
1.324957
1
0.0%
1.3274242
3
0.1%
1.3346208000000002
1
0.0%
1.3389859
1
0.0%
1.3395723
5
0.2%
1.3417965
2
0.1%
LARGEST VALUES
2.1184464
1
0.0%
2.0798898
2
0.1%
2.0737746
2
0.1%
2.0601721
1
0.0%
2.0571618000000003
1
0.0%
2.043237
3
0.1%
2.0410061
1
0.0%
2.0325663
1
0.0%
2.0255175
3
0.1%
2.0137331
1
0.0%
2.004283
1
0.0%
1.9874766
3
0.1%
1.9864287
2
0.1%
1.9751246
2
0.1%
1.974709
1
0.0%
a_nB
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_nB
PROVIDES INFORMATION ON...
a_acid
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON a_nB:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00
b_double
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nB
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
a_nBr
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,918
98%
2.32
1
66
2%
1.76
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_nBr
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON a_nBr:
lip_don
0.07
opr_violation
0.07
a_don
0.07
chiral_u
0.06
rings
0.05
ast_violation_ext
0.05
ast_violation
0.05
opr_nring
0.05
lip_violation
0.05
b_double
0.04
opr_leadlike
0.03
Protein_descriptors_HDAC11
0.03
crossterm_pr_pr10
0.03
crossterm_pr_pr19
0.03

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nBr
CORRELATION RATIO WITH...
density
0.34
GCUT_SMR_2
0.19
a_ICM
0.13
BCUT_SMR_2
0.12
PEOE_VSA-0
0.10
SMR_VSA6
0.10
GCUT_PEOE_0
0.10
SlogP_VSA4
0.10
PEOE_VSA_NEG
0.09
rsynth
0.09
BCUT_PEOE_1
0.09
GCUT_SLOGP_2
0.09
b_1rotR
0.09
BCUT_SLOGP_2
0.09
a_nC
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi0_C
0.99
chi0v_C
0.98
vdw_vol
0.98
SMR
0.97
mr
0.97
a_hyd
0.97
h_mr
0.97
b_heavy
0.97
apol
0.97
chi1
0.96
a_heavy
0.96
zagreb
0.96
chi1_C
0.96
chi1v_C
0.96

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.74
lip_violation
0.70
rings
0.69
opr_nring
0.60
opr_leadlike
0.59
ast_violation
0.59
lip_druglike
0.59
a_don
0.58
ast_violation_ext
0.57
lip_don
0.55
b_double
0.42
ast_fraglike
0.37
ast_fraglike_ext
0.29
reactive
0.25
MOST FREQUENT VALUES
21
311
10.4%
23
230
7.7%
20
227
7.6%
18
225
7.5%
22
222
7.4%
19
207
6.9%
17
200
6.7%
24
192
6.4%
25
173
5.8%
16
141
4.7%
15
122
4.1%
27
116
3.9%
26
105
3.5%
14
75
2.5%
28
73
2.4%
SMALLEST VALUES
2
1
0.0%
4
5
0.2%
5
1
0.0%
6
5
0.2%
7
5
0.2%
8
9
0.3%
9
6
0.2%
10
19
0.6%
11
7
0.2%
12
23
0.8%
13
39
1.3%
14
75
2.5%
15
122
4.1%
16
141
4.7%
17
200
6.7%
LARGEST VALUES
71
2
0.1%
70
1
0.0%
69
1
0.0%
56
1
0.0%
55
2
0.1%
54
4
0.1%
53
3
0.1%
52
5
0.2%
51
1
0.0%
50
1
0.0%
49
2
0.1%
48
2
0.1%
46
2
0.1%
45
3
0.1%
44
6
0.2%
a_nCl
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,802
94%
2.32
1
162
5%
2.17
2
20
1%
2.24
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_nCl
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON a_nCl:
opr_violation
0.07
b_double
0.06
opr_nring
0.05
rings
0.05
a_nF
0.04
lip_don
0.04
a_don
0.03
ast_violation_ext
0.03
opr_leadlike
0.03
lip_violation
0.03
ast_violation
0.02
chiral_u
0.02
crossterm_pr_pr55
0.02
Protein_descriptors_HDAC11
0.01

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nCl
CORRELATION RATIO WITH...
PEOE_VSA-1
0.81
SlogP_VSA6
0.41
GCUT_SMR_2
0.37
a_ICM
0.31
density
0.27
GCUT_SLOGP_2
0.26
logS
0.24
BCUT_SMR_2
0.21
SlogP
0.19
h_logD
0.19
BCUT_SLOGP_2
0.19
h_logS
0.18
h_logP
0.18
b_ar
0.17
a_nF
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,548
85%
2.34
1
287
10%
1.99
3
67
2%
2.37
2
58
2%
2.10
4
18
1%
2.72
5
6
0%
3.72
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_nF
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON a_nF:
crossterm_pr_pr55
0.10
Protein_descriptors_HDAC11
0.10
crossterm_pr_pr10
0.10
crossterm_pr_pr19
0.10
crossterm_pr_pr27
0.10
crossterm_pr_pr34
0.10
crossterm_pr_pr40
0.10
crossterm_pr_pr45
0.10
crossterm_pr_pr49
0.10
crossterm_pr_pr52
0.10
crossterm_pr_pr54
0.10
b_double
0.08
ast_violation_ext
0.07
opr_nring
0.06

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nF
CORRELATION RATIO WITH...
PEOE_VSA-3
0.76
SlogP_VSA6
0.47
a_ICM
0.46
density
0.41
SMR_VSA1
0.37
GCUT_SLOGP_2
0.36
crossterm_pr_pr25
0.35
crossterm_pr_pr32
0.35
crossterm_pr_pr8
0.35
crossterm_pr_pr17
0.35
crossterm_pr_pr47
0.35
crossterm_pr_pr50
0.35
crossterm_pr_pr38
0.35
Protein_descriptors_HDAC9
0.35
a_nH
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_single
0.99
bpol
0.97
a_count
0.97
b_count
0.96
apol
0.94
chi0v_C
0.93
KierA1
0.92
Q_VSA_HYD
0.91
Q_VSA_POS
0.91
vdw_area
0.91
chi0v
0.91
chi1v
0.90
a_IC
0.90
KierA2
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.67
a_don
0.65
lip_violation
0.64
lip_don
0.63
lip_druglike
0.53
opr_leadlike
0.52
ast_violation_ext
0.50
ast_violation
0.49
b_double
0.48
rings
0.37
reactive
0.28
ast_fraglike
0.28
opr_nring
0.26
ast_fraglike_ext
0.24
MOST FREQUENT VALUES
24
203
6.8%
23
194
6.5%
22
185
6.2%
21
172
5.8%
27
154
5.2%
25
152
5.1%
20
150
5.0%
18
144
4.8%
26
139
4.7%
32
134
4.5%
28
132
4.4%
19
129
4.3%
30
127
4.3%
29
109
3.7%
17
104
3.5%
SMALLEST VALUES
5
1
0.0%
8
7
0.2%
9
14
0.5%
10
3
0.1%
11
31
1.0%
12
12
0.4%
13
59
2.0%
14
40
1.3%
15
63
2.1%
16
79
2.6%
17
104
3.5%
18
144
4.8%
19
129
4.3%
20
150
5.0%
21
172
5.8%
LARGEST VALUES
119
2
0.1%
117
1
0.0%
115
1
0.0%
94
1
0.0%
93
1
0.0%
92
2
0.1%
91
1
0.0%
90
4
0.1%
89
2
0.1%
88
1
0.0%
87
1
0.0%
85
2
0.1%
79
1
0.0%
77
1
0.0%
76
4
0.1%
a_nI
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,981
99%
2.31
1
3
0%
0.73
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_nI
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON a_nI:
lip_violation
0.30
opr_violation
0.16
opr_nring
0.12
rings
0.12
b_double
0.11
ast_violation_ext
0.10
lip_don
0.08
Protein_descriptors_HDAC11
0.08
crossterm_pr_pr10
0.08
crossterm_pr_pr19
0.08
crossterm_pr_pr27
0.08
crossterm_pr_pr34
0.08
crossterm_pr_pr40
0.08
crossterm_pr_pr45
0.08

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nI
CORRELATION RATIO WITH...
density
0.13
GCUT_SMR_2
0.06
SlogP_VSA1
0.05
pIC50
0.05
a_ICM
0.05
SMR_VSA4
0.04
h_logS
0.04
SMR_VSA3
0.04
Weight
0.04
BCUT_SMR_2
0.04
logS
0.04
h_logP
0.03
h_logD
0.03
radius
0.03
a_nN
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_ema
0.79
lip_acc
0.76
TPSA
0.72
vsa_pol
0.69
SlogP_VSA1
0.69
a_donacc
0.67
vsa_acc
0.67
vsa_other
0.65
b_1rotN
0.65
b_rotN
0.64
diameter
0.64
a_IC
0.64
radius
0.63
Kier2
0.63

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.64
lip_don
0.64
b_double
0.55
opr_violation
0.51
ast_violation_ext
0.50
lip_violation
0.49
ast_violation
0.48
lip_druglike
0.46
opr_leadlike
0.41
rings
0.32
opr_nring
0.31
ast_fraglike
0.28
ast_fraglike_ext
0.22
crossterm_pr_pr55
0.22
MOST FREQUENT VALUES
3
789
26.4%
4
719
24.1%
2
599
20.1%
5
401
13.4%
1
248
8.3%
6
99
3.3%
7
62
2.1%
8
28
0.9%
9
20
0.7%
10
14
0.5%
25
4
0.1%
11
1
0.0%
SMALLEST VALUES
1
248
8.3%
2
599
20.1%
3
789
26.4%
4
719
24.1%
5
401
13.4%
6
99
3.3%
7
62
2.1%
8
28
0.9%
9
20
0.7%
10
14
0.5%
11
1
0.0%
25
4
0.1%
LARGEST VALUES
25
4
0.1%
11
1
0.0%
10
14
0.5%
9
20
0.7%
8
28
0.9%
7
62
2.1%
6
99
3.3%
5
401
13.4%
4
719
24.1%
3
789
26.4%
2
599
20.1%
1
248
8.3%
a_nO
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_PC-
-0.85
PEOE_PC+
0.84
h_emd_C
0.83
a_acc
0.80
SMR_VSA0
0.80
lip_acc
0.79
KierA1
0.79
a_donacc
0.79
TPSA
0.78
h_emd
0.78
PEOE_VSA_PNEG
0.78
PEOE_VSA_POL
0.76
Kier1
0.76
a_IC
0.75

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.61
opr_violation
0.61
lip_violation
0.59
lip_don
0.59
ast_violation_ext
0.52
lip_druglike
0.51
opr_leadlike
0.49
b_double
0.47
reactive
0.44
ast_violation
0.42
rings
0.36
opr_nring
0.29
Protein_descriptors_HDAC11
0.22
crossterm_pr_pr10
0.22
MOST FREQUENT VALUES
2
821
27.5%
3
816
27.3%
4
636
21.3%
5
350
11.7%
6
210
7.0%
7
63
2.1%
10
17
0.6%
8
16
0.5%
9
13
0.4%
12
13
0.4%
11
10
0.3%
14
10
0.3%
15
9
0.3%
SMALLEST VALUES
2
821
27.5%
3
816
27.3%
4
636
21.3%
5
350
11.7%
6
210
7.0%
7
63
2.1%
8
16
0.5%
9
13
0.4%
10
17
0.6%
11
10
0.3%
12
13
0.4%
14
10
0.3%
15
9
0.3%
LARGEST VALUES
15
9
0.3%
14
10
0.3%
12
13
0.4%
11
10
0.3%
10
17
0.6%
9
13
0.4%
8
16
0.5%
7
63
2.1%
6
210
7.0%
5
350
11.7%
4
636
21.3%
3
816
27.3%
2
821
27.5%
a_nP
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_nP
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON a_nP:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nS
1.00
b_double
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nP
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
a_nS
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,475
83%
2.35
1
366
12%
1.96
2
142
5%
2.56
3
1
0%
1.70
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
a_nS
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON a_nS:
ast_violation_ext
0.08
a_don
0.07
lip_don
0.06
crossterm_pr_pr55
0.06
Protein_descriptors_HDAC11
0.05
crossterm_pr_pr10
0.05
crossterm_pr_pr19
0.05
crossterm_pr_pr27
0.05
crossterm_pr_pr34
0.05
crossterm_pr_pr40
0.05
crossterm_pr_pr45
0.05
crossterm_pr_pr49
0.05
crossterm_pr_pr52
0.05
crossterm_pr_pr54
0.05

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nS
CORRELATION RATIO WITH...
h_log_dbo
0.64
a_ICM
0.59
density
0.51
SlogP_VSA1
0.42
GCUT_SMR_2
0.37
PEOE_VSA-4
0.33
PEOE_VSA_FPNEG
0.32
SlogP_VSA7
0.28
SMR_VSA5
0.26
vsa_acc
0.25
PEOE_VSA_FPOL
0.25
PEOE_VSA_FHYD
0.25
chi1_C
0.24
PEOE_VSA-5
0.24
balabanJ
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
opr_brigid
-0.70
a_aro
-0.68
b_ar
-0.68
h_log_pbo
-0.67
VAdjMa
-0.62
h_logS
0.59
VDistEq
-0.59
VDistMa
-0.54
SMR_VSA5
-0.54
BCUT_SMR_2
-0.54
radius
-0.54
diameter
-0.53
VAdjEq
0.52
zagreb
-0.52

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.84
rings
0.84
ast_violation
0.50
ast_violation_ext
0.48
ast_fraglike
0.42
opr_violation
0.35
lip_violation
0.32
ast_fraglike_ext
0.30
opr_leadlike
0.26
lip_druglike
0.25
a_don
0.25
lip_don
0.24
b_double
0.18
a_base
0.17
MOST FREQUENT VALUES
1.5767091999999998
25
0.8%
1.576441
22
0.7%
2.3180957
14
0.5%
1.378412
11
0.4%
1.6494685000000002
11
0.4%
1.4463116000000003
11
0.4%
1.4504915
10
0.3%
1.1767309
10
0.3%
1.4297239
10
0.3%
1.4163667
10
0.3%
1.3830993999999999
10
0.3%
1.2429171
10
0.3%
1.467517
9
0.3%
1.4576902
9
0.3%
1.6165701000000001
9
0.3%
SMALLEST VALUES
0.81219351
1
0.0%
0.81219578
2
0.1%
0.84005904
1
0.0%
0.84006149
1
0.0%
0.89449167
1
0.0%
0.91603398
1
0.0%
0.9303019
2
0.1%
0.94477648
2
0.1%
0.95940334
2
0.1%
0.97231776
1
0.0%
0.98556513
1
0.0%
0.98779684
2
0.1%
0.99553138
1
0.0%
1.0013888000000002
1
0.0%
1.0084207
1
0.0%
LARGEST VALUES
3.677973
7
0.2%
2.9202527999999996
1
0.0%
2.9029341
1
0.0%
2.8988621
1
0.0%
2.8958487999999996
1
0.0%
2.8816717
5
0.2%
2.7557240000000003
1
0.0%
2.6693284999999998
1
0.0%
2.5287664
1
0.0%
2.4467909
1
0.0%
2.445576
1
0.0%
2.413636
1
0.0%
2.359962
2
0.1%
2.3493452
2
0.1%
2.3304384
1
0.0%
BCUT_PEOE_0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SMR_0
0.99
GCUT_SMR_0
0.78
BCUT_SLOGP_0
0.78
BCUT_PEOE_3
-0.73
BCUT_SLOGP_3
-0.70
BCUT_SMR_3
-0.70
SlogP_VSA8
-0.61
GCUT_PEOE_3
-0.60
GCUT_SLOGP_3
-0.58
GCUT_SMR_3
-0.56
b_single
-0.55
a_nH
-0.55
b_max1len
-0.51
bpol
-0.50

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.40
ast_violation
0.37
opr_violation
0.32
lip_don
0.31
a_don
0.31
ast_fraglike
0.28
ast_fraglike_ext
0.28
opr_leadlike
0.25
lip_violation
0.22
crossterm_pr_pr55
0.19
Protein_descriptors_HDAC11
0.18
crossterm_pr_pr10
0.18
crossterm_pr_pr19
0.18
crossterm_pr_pr27
0.18
MOST FREQUENT VALUES
-2.6536529
35
1.2%
-2.6537507000000002
34
1.1%
-2.658458
25
0.8%
-2.6536565
24
0.8%
-2.6665227000000002
22
0.7%
-2.664355
21
0.7%
-2.6537547000000004
16
0.5%
-2.6535037
15
0.5%
-2.6001301
14
0.5%
-2.6202313999999998
14
0.5%
-2.4784252999999996
14
0.5%
-2.5995195
12
0.4%
-2.6537526000000002
12
0.4%
-2.6223381000000003
12
0.4%
-2.6666131
11
0.4%
SMALLEST VALUES
-3.0172844
1
0.0%
-3.0170326000000003
5
0.2%
-3.0170302
5
0.2%
-3.0169921000000004
3
0.1%
-3.0153658
3
0.1%
-3.0153356
5
0.2%
-3.0098835999999998
1
0.0%
-3.0098715
1
0.0%
-3.0065825
2
0.1%
-2.9997902
5
0.2%
-2.9991624
8
0.3%
-2.9981289
5
0.2%
-2.9980702
6
0.2%
-2.8952396
2
0.1%
-2.8803058
1
0.0%
LARGEST VALUES
-2.1608009
2
0.1%
-2.1616356
1
0.0%
-2.1666408
2
0.1%
-2.1731374
1
0.0%
-2.1737492
1
0.0%
-2.1836398
2
0.1%
-2.2024868
1
0.0%
-2.2099113
1
0.0%
-2.2131207
2
0.1%
-2.2166544999999998
1
0.0%
-2.2190845
1
0.0%
-2.220793
1
0.0%
-2.2214386000000004
2
0.1%
-2.2250798
2
0.1%
-2.226023
1
0.0%
BCUT_PEOE_1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SMR_1
0.88
BCUT_SMR_2
-0.85
BCUT_PEOE_2
-0.84
BCUT_SLOGP_2
-0.84
BCUT_SLOGP_1
0.82
GCUT_SLOGP_2
-0.74
SMR_VSA7
0.64
GCUT_PEOE_2
-0.62
GCUT_SMR_2
-0.61
SlogP_VSA9
0.60
SlogP_VSA7
-0.57
b_ar
-0.52
a_aro
-0.52
GCUT_SMR_1
0.48

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.35
rings
0.34
b_double
0.26
a_nS
0.18
a_don
0.17
a_nCl
0.17
lip_don
0.17
opr_violation
0.16
a_nF
0.16
ast_violation_ext
0.14
lip_violation
0.11
ast_violation
0.11
a_nBr
0.09
a_base
0.09
MOST FREQUENT VALUES
-0.61778677
25
0.8%
-0.59485346
22
0.7%
-0.48566747
14
0.5%
-0.62216789
12
0.4%
-0.57441968
11
0.4%
-0.64748442
11
0.4%
-0.64820254
11
0.4%
-0.60267901
10
0.3%
-0.64320827
10
0.3%
-0.64026868
10
0.3%
-0.5084058
10
0.3%
-0.63063937
10
0.3%
-0.64439225
10
0.3%
-0.64084947
10
0.3%
-0.44959337
9
0.3%
SMALLEST VALUES
-0.68509609
9
0.3%
-0.68436629
6
0.2%
-0.68322742
1
0.0%
-0.68322736
2
0.1%
-0.68262029
1
0.0%
-0.68165094
2
0.1%
-0.67859894
4
0.1%
-0.67586541
2
0.1%
-0.67554212
1
0.0%
-0.67541826
1
0.0%
-0.67445499
1
0.0%
-0.67421579
1
0.0%
-0.6739012
2
0.1%
-0.67388499
2
0.1%
-0.67374015
1
0.0%
LARGEST VALUES
-0.14445801
1
0.0%
-0.14702488
1
0.0%
-0.14710233
1
0.0%
-0.25818899
1
0.0%
-0.31901276
1
0.0%
-0.31902066
1
0.0%
-0.31902072
2
0.1%
-0.31902561
1
0.0%
-0.31963071
1
0.0%
-0.32563259999999994
1
0.0%
-0.33100113
1
0.0%
-0.33100959999999996
1
0.0%
-0.34501126
1
0.0%
-0.34534380000000003
2
0.1%
-0.34534398
1
0.0%
BCUT_PEOE_2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SMR_2
0.91
BCUT_SLOGP_2
0.90
BCUT_SMR_1
-0.88
BCUT_PEOE_1
-0.84
GCUT_SLOGP_2
0.76
BCUT_SLOGP_1
-0.69
GCUT_PEOE_2
0.67
GCUT_SMR_2
0.63
SMR_VSA7
-0.61
SlogP_VSA7
0.59
SlogP_VSA9
-0.54
a_aro
0.50
b_ar
0.50
balabanJ
-0.46

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.37
rings
0.35
b_double
0.30
opr_violation
0.20
ast_violation
0.18
ast_violation_ext
0.17
a_don
0.16
opr_leadlike
0.15
lip_don
0.15
a_nS
0.14
a_nF
0.12
lip_violation
0.11
crossterm_pr_pr55
0.11
Protein_descriptors_HDAC11
0.11
MOST FREQUENT VALUES
0.59731084
27
0.9%
0.69811022
24
0.8%
0.54901183
22
0.7%
0.69734001
16
0.5%
0.49841103
14
0.5%
0.6972931
11
0.4%
0.44202274
10
0.3%
0.70230126
10
0.3%
0.70283705
10
0.3%
0.69842297
10
0.3%
0.71250224
10
0.3%
0.70141453
9
0.3%
0.43184376
9
0.3%
0.458143
9
0.3%
0.52281678
9
0.3%
SMALLEST VALUES
0.22465678
1
0.0%
0.22476146
1
0.0%
0.22476379999999999
1
0.0%
0.30612114
1
0.0%
0.32653609
1
0.0%
0.32654467
1
0.0%
0.32654896
1
0.0%
0.32655075
1
0.0%
0.3311094
1
0.0%
0.33139202
1
0.0%
0.33521801
1
0.0%
0.33980748
1
0.0%
0.34003597
1
0.0%
0.34835142
1
0.0%
0.35861769
2
0.1%
LARGEST VALUES
0.77622533
6
0.2%
0.77508062
1
0.0%
0.75464213
6
0.2%
0.75461125
1
0.0%
0.75416064
1
0.0%
0.75398707
1
0.0%
0.75297797
2
0.1%
0.75279212
3
0.1%
0.75094151
1
0.0%
0.74797755
9
0.3%
0.74767369
2
0.1%
0.74618566
2
0.1%
0.74590588
1
0.0%
0.74587721
1
0.0%
0.74544936
2
0.1%
BCUT_PEOE_3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SMR_3
0.98
BCUT_SLOGP_3
0.89
BCUT_SMR_0
-0.74
BCUT_PEOE_0
-0.73
BCUT_SLOGP_0
-0.67
GCUT_PEOE_3
0.66
GCUT_SLOGP_3
0.62
GCUT_SMR_3
0.61
GCUT_SMR_0
-0.59
SlogP_VSA8
0.49
b_single
0.49
a_nH
0.45
chi1v_C
0.42
bpol
0.42

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.30
ast_violation
0.27
opr_nring
0.27
ast_violation_ext
0.26
opr_violation
0.26
crossterm_pr_pr55
0.23
Protein_descriptors_HDAC11
0.23
crossterm_pr_pr10
0.23
crossterm_pr_pr19
0.23
crossterm_pr_pr27
0.23
crossterm_pr_pr34
0.23
crossterm_pr_pr40
0.23
crossterm_pr_pr45
0.23
crossterm_pr_pr49
0.23
MOST FREQUENT VALUES
2.6259754
51
1.7%
2.6491361
25
0.8%
2.6261625
24
0.8%
2.6555402000000004
22
0.7%
2.6261528
20
0.7%
2.6101002999999996
16
0.5%
2.4389052
14
0.5%
2.6222811000000004
14
0.5%
2.6259756000000003
12
0.4%
2.6019871
12
0.4%
2.626338
11
0.4%
2.6261506000000003
11
0.4%
2.6041830000000004
10
0.3%
2.5749071
10
0.3%
2.6325657000000002
10
0.3%
SMALLEST VALUES
2.1657305
1
0.0%
2.1701808
1
0.0%
2.1757392999999996
2
0.1%
2.2024262
1
0.0%
2.2036142000000005
1
0.0%
2.2125432000000003
1
0.0%
2.213486
3
0.1%
2.2134905
1
0.0%
2.2161436
1
0.0%
2.2182883999999996
1
0.0%
2.2191401
5
0.2%
2.2222763999999997
1
0.0%
2.2237175
1
0.0%
2.2246167999999997
2
0.1%
2.224669
3
0.1%
LARGEST VALUES
2.9835646000000002
1
0.0%
2.9835634
1
0.0%
2.9562876
1
0.0%
2.9556904
3
0.1%
2.9556639
5
0.2%
2.9556612999999996
5
0.2%
2.9543729
5
0.2%
2.954349
3
0.1%
2.9502211
5
0.2%
2.9478662
2
0.1%
2.9428918
5
0.2%
2.9428165
6
0.2%
2.942333
8
0.3%
2.9217772
1
0.0%
2.9150112
1
0.0%
BCUT_SLOGP_0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_PEOE_0
0.78
BCUT_SMR_0
0.76
BCUT_PEOE_3
-0.67
BCUT_SMR_3
-0.67
GCUT_PEOE_3
-0.65
GCUT_SMR_3
-0.61
b_single
-0.59
GCUT_SMR_0
0.58
a_nH
-0.56
GCUT_SLOGP_3
-0.56
bpol
-0.54
a_count
-0.50
b_count
-0.50
SlogP_VSA3
-0.48

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.40
a_don
0.38
ast_violation_ext
0.30
opr_violation
0.29
b_double
0.29
ast_violation
0.28
lip_violation
0.26
opr_leadlike
0.23
lip_druglike
0.23
rings
0.23
ast_fraglike
0.21
ast_fraglike_ext
0.20
a_base
0.20
FCharge
0.20
MOST FREQUENT VALUES
-2.5631008
38
1.3%
-2.5631011000000004
26
0.9%
-2.6347783
25
0.8%
-2.5635526
24
0.8%
-2.6518462000000005
22
0.7%
-2.4019522999999996
22
0.7%
-2.5455716
20
0.7%
-2.5635319
20
0.7%
-2.6575146000000003
16
0.5%
-2.5564716
16
0.5%
-2.5455718
15
0.5%
-2.5634241
15
0.5%
-2.5635529
14
0.5%
-2.5375799999999997
14
0.5%
-2.657063
13
0.4%
SMALLEST VALUES
-3.4099614999999996
1
0.0%
-3.2865123999999994
1
0.0%
-3.2865016000000002
1
0.0%
-3.2864997000000002
1
0.0%
-2.9902463
1
0.0%
-2.9902401000000003
1
0.0%
-2.9896662
1
0.0%
-2.9781981
1
0.0%
-2.9649444
1
0.0%
-2.964298
5
0.2%
-2.9564972000000003
2
0.1%
-2.9529283
1
0.0%
-2.9384501
1
0.0%
-2.9384465
1
0.0%
-2.9382615000000003
1
0.0%
LARGEST VALUES
-2.4013162
1
0.0%
-2.4013257
1
0.0%
-2.4013259
2
0.1%
-2.4014478
2
0.1%
-2.4014506
11
0.4%
-2.4014509
2
0.1%
-2.4016032000000003
1
0.0%
-2.4017596
1
0.0%
-2.4017767999999995
1
0.0%
-2.4018366
2
0.1%
-2.4018455000000003
1
0.0%
-2.4018564
1
0.0%
-2.4018567
1
0.0%
-2.401859
1
0.0%
-2.4018607000000003
2
0.1%
BCUT_SLOGP_1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_PEOE_1
0.82
BCUT_SMR_1
0.77
GCUT_PEOE_2
-0.72
BCUT_PEOE_2
-0.69
GCUT_SMR_1
0.69
BCUT_SMR_2
-0.66
BCUT_SLOGP_2
-0.61
SlogP_VSA9
0.60
SMR_VSA7
0.59
GCUT_SLOGP_2
-0.54
GCUT_SMR_2
-0.51
GCUT_PEOE_1
0.47
SlogP_VSA7
-0.42
balabanJ
0.38

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.24
opr_nring
0.23
b_double
0.22
a_don
0.17
lip_don
0.16
a_nS
0.16
a_nF
0.13
ast_violation_ext
0.11
crossterm_pr_pr55
0.11
Protein_descriptors_HDAC11
0.10
crossterm_pr_pr10
0.10
crossterm_pr_pr19
0.10
crossterm_pr_pr27
0.10
crossterm_pr_pr34
0.10
MOST FREQUENT VALUES
-0.53807992
525
17.6%
-0.54795331
25
0.8%
-0.53744578
22
0.7%
-0.44825691
14
0.5%
-0.53110194
12
0.4%
-0.49742171
11
0.4%
-0.46002671
10
0.3%
-0.53110182
10
0.3%
-0.55636078
10
0.3%
-0.5061003
9
0.3%
-0.61514378
9
0.3%
-0.48168004
9
0.3%
-0.5993222
9
0.3%
-0.55331343
9
0.3%
-0.52764344
9
0.3%
SMALLEST VALUES
-0.65392011
1
0.0%
-0.63702005
1
0.0%
-0.63701773
1
0.0%
-0.63693172
1
0.0%
-0.63330603
3
0.1%
-0.63320273
2
0.1%
-0.6331284
1
0.0%
-0.62291175
1
0.0%
-0.62212867
2
0.1%
-0.62212622
1
0.0%
-0.61645311
1
0.0%
-0.61514378
9
0.3%
-0.6147899
1
0.0%
-0.61465383
1
0.0%
-0.61447185
1
0.0%
LARGEST VALUES
-0.13177304
1
0.0%
-0.13528296
1
0.0%
-0.13533126
1
0.0%
-0.25105017
1
0.0%
-0.27195594
2
0.1%
-0.27238294
1
0.0%
-0.29251555
1
0.0%
-0.29301888
1
0.0%
-0.29304451
1
0.0%
-0.29304704
1
0.0%
-0.29304752
1
0.0%
-0.29308069
1
0.0%
-0.30105618
1
0.0%
-0.30546463
1
0.0%
-0.30553618
1
0.0%
BCUT_SLOGP_2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SMR_2
0.93
BCUT_PEOE_2
0.90
GCUT_SLOGP_2
0.88
BCUT_PEOE_1
-0.84
BCUT_SMR_1
-0.79
GCUT_SMR_2
0.62
BCUT_SLOGP_1
-0.61
SlogP_VSA7
0.59
SMR_VSA7
-0.57
GCUT_PEOE_2
0.57
a_aro
0.56
b_ar
0.55
SlogP_VSA9
-0.52
b_single
-0.49

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.40
rings
0.38
b_double
0.36
a_don
0.25
lip_don
0.24
a_nF
0.22
opr_violation
0.22
a_nCl
0.19
ast_violation
0.16
ast_violation_ext
0.15
lip_violation
0.14
a_nS
0.14
crossterm_pr_pr55
0.13
Protein_descriptors_HDAC11
0.13
MOST FREQUENT VALUES
0.80591482
107
3.6%
0.70347673
25
0.8%
0.66099977
22
0.7%
0.36715573
16
0.5%
0.58465028
14
0.5%
0.45922151
12
0.4%
0.75020778
10
0.3%
0.43665117
10
0.3%
0.78058153
10
0.3%
0.77618712
10
0.3%
0.7051928000000001
9
0.3%
0.77921188
9
0.3%
0.78077382
9
0.3%
0.75093043
9
0.3%
0.69845444
9
0.3%
SMALLEST VALUES
0.26942109999999997
1
0.0%
0.26947269
1
0.0%
0.269474
1
0.0%
0.31646448
1
0.0%
0.31646457
1
0.0%
0.3164646
1
0.0%
0.31646463
1
0.0%
0.31763437
1
0.0%
0.31764773
1
0.0%
0.33557817
1
0.0%
0.33670914
1
0.0%
0.33673567
1
0.0%
0.34026444
7
0.2%
0.34150803
1
0.0%
0.3416681
2
0.1%
LARGEST VALUES
0.87134939
1
0.0%
0.87023705
1
0.0%
0.85573447
6
0.2%
0.85292602
2
0.1%
0.84601086
1
0.0%
0.84310997
1
0.0%
0.83799624
1
0.0%
0.83093524
1
0.0%
0.82765055
1
0.0%
0.82548946
3
0.1%
0.82431251
1
0.0%
0.82114577
2
0.1%
0.82095164
3
0.1%
0.8209151
2
0.1%
0.82072979
3
0.1%
BCUT_SLOGP_3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_PEOE_3
0.89
BCUT_SMR_3
0.86
BCUT_SMR_0
-0.71
BCUT_PEOE_0
-0.70
SlogP_VSA8
0.63
GCUT_SMR_0
-0.63
GCUT_SLOGP_3
0.51
GCUT_PEOE_3
0.51
GCUT_SMR_3
0.46
BCUT_SLOGP_0
-0.46
h_pKa
0.42
b_single
0.39
b_max1len
0.39
SlogP_VSA7
-0.37

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.25
ast_violation_ext
0.23
ast_violation
0.23
crossterm_pr_pr55
0.22
rings
0.21
Protein_descriptors_HDAC11
0.21
crossterm_pr_pr10
0.21
crossterm_pr_pr19
0.21
crossterm_pr_pr27
0.21
crossterm_pr_pr34
0.21
crossterm_pr_pr40
0.21
crossterm_pr_pr45
0.21
crossterm_pr_pr49
0.21
crossterm_pr_pr52
0.21
MOST FREQUENT VALUES
2.7595167000000003
34
1.1%
2.759562
33
1.1%
2.7595627
29
1.0%
2.7454313999999997
25
0.8%
2.7467966
22
0.7%
2.7414148
21
0.7%
2.7595162
20
0.7%
2.7262735
16
0.5%
2.5474718
14
0.5%
2.7595099999999997
12
0.4%
2.701093
12
0.4%
2.7595107999999997
11
0.4%
2.7414598
10
0.3%
2.7923357
10
0.3%
2.7335935
10
0.3%
SMALLEST VALUES
2.1833675
1
0.0%
2.3226347
2
0.1%
2.3273342
2
0.1%
2.3366293999999996
1
0.0%
2.3388133
2
0.1%
2.3399205000000003
2
0.1%
2.3465056
1
0.0%
2.3472521
1
0.0%
2.3570766
1
0.0%
2.3589461
2
0.1%
2.3632138
2
0.1%
2.3632414
1
0.0%
2.3707225
1
0.0%
2.371382
1
0.0%
2.3718122999999998
2
0.1%
LARGEST VALUES
3.0591507
1
0.0%
3.0590546
5
0.2%
3.0590534
5
0.2%
3.0590496
3
0.1%
3.0574807999999996
3
0.1%
3.0574784
5
0.2%
3.0473781000000004
1
0.0%
3.047375
1
0.0%
3.0473154
5
0.2%
3.0473084
6
0.2%
3.0465047000000003
8
0.3%
3.0298814999999997
2
0.1%
3.0277162
5
0.2%
3.0054784
2
0.1%
3.0048783
1
0.0%
BCUT_SMR_0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_PEOE_0
0.99
GCUT_SMR_0
0.83
BCUT_SLOGP_0
0.76
BCUT_PEOE_3
-0.74
BCUT_SLOGP_3
-0.71
BCUT_SMR_3
-0.68
SlogP_VSA8
-0.63
GCUT_PEOE_3
-0.58
b_max1len
-0.56
GCUT_SLOGP_3
-0.55
b_single
-0.55
a_nH
-0.54
GCUT_SMR_3
-0.53
bpol
-0.50

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.40
ast_violation
0.36
opr_violation
0.33
lip_don
0.32
a_don
0.32
ast_fraglike_ext
0.28
ast_fraglike
0.27
opr_leadlike
0.25
lip_violation
0.22
lip_druglike
0.18
crossterm_pr_pr55
0.18
Protein_descriptors_HDAC11
0.17
crossterm_pr_pr10
0.17
crossterm_pr_pr19
0.17
MOST FREQUENT VALUES
-2.4112763
53
1.8%
-2.4111675999999997
38
1.3%
-2.4111681000000003
31
1.0%
-2.4112766
27
0.9%
-2.4206442999999997
25
0.8%
-2.4162917
24
0.8%
-2.3427908
23
0.8%
-2.4279695
22
0.7%
-2.4112701000000003
20
0.7%
-2.3541243
18
0.6%
-2.4112353
17
0.6%
-2.4108694
15
0.5%
-2.2032902
14
0.5%
-2.3427911
13
0.4%
-2.3908963
12
0.4%
SMALLEST VALUES
-2.7586088
1
0.0%
-2.7582063999999997
5
0.2%
-2.7582054
3
0.1%
-2.7582052000000004
5
0.2%
-2.7566667000000002
5
0.2%
-2.7566664
3
0.1%
-2.7562306
1
0.0%
-2.7562227000000004
1
0.0%
-2.7464936
2
0.1%
-2.743541
5
0.2%
-2.7395329
8
0.3%
-2.7393055
5
0.2%
-2.7392668999999996
6
0.2%
-2.6360767000000003
2
0.1%
-2.6219935000000003
1
0.0%
LARGEST VALUES
-1.8393629
2
0.1%
-1.8396486
1
0.0%
-1.8485776000000003
1
0.0%
-1.8492236000000002
1
0.0%
-1.8585093999999998
2
0.1%
-1.8591933999999997
2
0.1%
-1.8719571
1
0.0%
-1.8764914000000001
2
0.1%
-1.8767478
1
0.0%
-1.8792734
2
0.1%
-1.8855042000000002
1
0.0%
-1.8895798
3
0.1%
-1.8902187
1
0.0%
-1.8919549
1
0.0%
-1.8929392
2
0.1%
BCUT_SMR_1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_PEOE_1
0.88
BCUT_PEOE_2
-0.88
BCUT_SLOGP_2
-0.79
BCUT_SLOGP_1
0.77
BCUT_SMR_2
-0.76
SMR_VSA7
0.65
GCUT_SLOGP_2
-0.63
GCUT_PEOE_2
-0.62
SlogP_VSA7
-0.61
SlogP_VSA9
0.60
GCUT_SMR_2
-0.44
GCUT_SMR_1
0.43
a_aro
-0.43
b_ar
-0.42

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.31
rings
0.30
ast_violation_ext
0.24
b_double
0.24
opr_violation
0.23
ast_violation
0.21
a_nS
0.20
opr_leadlike
0.19
a_don
0.18
lip_don
0.18
lip_violation
0.13
a_nF
0.12
lip_druglike
0.12
crossterm_pr_pr55
0.10
MOST FREQUENT VALUES
-0.49986199
409
13.7%
-0.4070541
25
0.8%
-0.37983522
22
0.7%
-0.29772472
19
0.6%
-0.29772478
16
0.5%
-0.32975134
14
0.5%
-0.37048039
11
0.4%
-0.29772475
11
0.4%
-0.50460726
10
0.3%
-0.45403770000000004
10
0.3%
-0.54029346
9
0.3%
-0.42212632
9
0.3%
-0.40097940000000004
9
0.3%
-0.34692562
9
0.3%
-0.31994018
9
0.3%
SMALLEST VALUES
-0.54768354
1
0.0%
-0.54400772
1
0.0%
-0.54029346
9
0.3%
-0.53677881
1
0.0%
-0.53654712
1
0.0%
-0.53559148
1
0.0%
-0.53558183
1
0.0%
-0.53548127
2
0.1%
-0.53546274
1
0.0%
-0.53539884
2
0.1%
-0.53517616
3
0.1%
-0.53120577
1
0.0%
-0.52772456
1
0.0%
-0.52714366
2
0.1%
-0.52706295
1
0.0%
LARGEST VALUES
0.070533663
1
0.0%
0.070531614
1
0.0%
0.070531607
1
0.0%
-0.054571100000000004
1
0.0%
-0.14446552
1
0.0%
-0.14446874
1
0.0%
-0.14446905
1
0.0%
-0.14449838
1
0.0%
-0.14449839
3
0.1%
-0.14449933
1
0.0%
-0.14449935
1
0.0%
-0.16208336
1
0.0%
-0.16209269
3
0.1%
-0.1620927
6
0.2%
-0.16209631
1
0.0%
BCUT_SMR_2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SLOGP_2
0.93
BCUT_PEOE_2
0.91
BCUT_PEOE_1
-0.85
GCUT_SLOGP_2
0.83
GCUT_SMR_2
0.77
BCUT_SMR_1
-0.76
BCUT_SLOGP_1
-0.66
GCUT_PEOE_2
0.60
a_aro
0.59
b_ar
0.58
SlogP_VSA7
0.55
SMR_VSA7
-0.54
balabanJ
-0.54
SlogP_VSA9
-0.49

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.42
rings
0.39
b_double
0.34
a_nCl
0.21
a_don
0.17
opr_violation
0.17
lip_don
0.16
a_nS
0.16
a_nF
0.14
ast_violation
0.13
ast_violation_ext
0.12
a_nBr
0.12
Protein_descriptors_HDAC11
0.11
crossterm_pr_pr10
0.11
MOST FREQUENT VALUES
0.85431087
356
11.9%
0.85429859
26
0.9%
0.75659132
25
0.8%
0.72588581
22
0.7%
0.65659863
14
0.5%
0.80514848
14
0.5%
0.84253371
10
0.3%
0.64200133
10
0.3%
0.83871651
10
0.3%
0.84598476
10
0.3%
0.84204996
10
0.3%
0.88523912
10
0.3%
0.77226198
9
0.3%
0.86715907
9
0.3%
0.84373075
9
0.3%
SMALLEST VALUES
0.3894954
1
0.0%
0.38949618
1
0.0%
0.38949624
1
0.0%
0.48494129999999996
7
0.2%
0.49542102
1
0.0%
0.49545941
1
0.0%
0.49545971
1
0.0%
0.49546972
1
0.0%
0.50320888
1
0.0%
0.50323051
1
0.0%
0.50450575
1
0.0%
0.50949556
1
0.0%
0.50977165
2
0.1%
0.51050925
1
0.0%
0.51089501
1
0.0%
LARGEST VALUES
0.94892335
1
0.0%
0.93801624
1
0.0%
0.91950434
1
0.0%
0.90545839
3
0.1%
0.90421534
2
0.1%
0.9040814
1
0.0%
0.90314722
1
0.0%
0.89964563
2
0.1%
0.89680761
1
0.0%
0.89672369
2
0.1%
0.89475465
1
0.0%
0.88805771
6
0.2%
0.88768929
1
0.0%
0.88766336
2
0.1%
0.8876523999999999
2
0.1%
BCUT_SMR_3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_PEOE_3
0.98
BCUT_SLOGP_3
0.86
BCUT_PEOE_0
-0.70
GCUT_PEOE_3
0.69
BCUT_SMR_0
-0.68
BCUT_SLOGP_0
-0.67
GCUT_SMR_3
0.65
GCUT_SLOGP_3
0.65
GCUT_SMR_0
-0.50
b_single
0.49
SlogP_VSA8
0.45
a_nH
0.44
chi1v_C
0.43
bpol
0.41

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.34
opr_nring
0.31
ast_violation
0.28
ast_violation_ext
0.25
crossterm_pr_pr55
0.24
opr_violation
0.24
Protein_descriptors_HDAC11
0.23
crossterm_pr_pr10
0.23
crossterm_pr_pr19
0.23
crossterm_pr_pr27
0.23
crossterm_pr_pr34
0.23
crossterm_pr_pr40
0.23
crossterm_pr_pr45
0.23
crossterm_pr_pr49
0.23
MOST FREQUENT VALUES
2.8855181
25
0.8%
2.8705592
24
0.8%
2.8921521
22
0.7%
2.7225752
14
0.5%
2.8706806
13
0.4%
2.8706812999999998
13
0.4%
2.8407583
12
0.4%
2.8705335
11
0.4%
2.8705609
10
0.3%
2.8422457999999997
10
0.3%
2.8889351000000003
10
0.3%
2.5774117000000003
10
0.3%
2.8706825
10
0.3%
3.0197967999999995
10
0.3%
2.8731202999999996
10
0.3%
SMALLEST VALUES
2.4813842999999998
1
0.0%
2.5075991
1
0.0%
2.5112565
2
0.1%
2.5144857999999997
1
0.0%
2.5353396
3
0.1%
2.5438271
2
0.1%
2.5440347
2
0.1%
2.5476179
1
0.0%
2.5483732000000003
1
0.0%
2.5555662999999997
1
0.0%
2.5557332
2
0.1%
2.5562382
2
0.1%
2.5590322
6
0.2%
2.5632327
7
0.2%
2.5653486
1
0.0%
LARGEST VALUES
3.2373104
1
0.0%
3.2373052
1
0.0%
3.2154973
1
0.0%
3.2149935000000003
5
0.2%
3.2149892
5
0.2%
3.2149885
3
0.1%
3.2136836
3
0.1%
3.2136831000000003
5
0.2%
3.2078154
2
0.1%
3.2063935000000003
5
0.2%
3.203809
8
0.3%
3.2034736
5
0.2%
3.2033709999999997
6
0.2%
3.166168
1
0.0%
3.1592392999999994
2
0.1%
bpol
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_single
0.98
a_count
0.98
a_nH
0.97
b_count
0.97
KierA1
0.97
apol
0.95
a_IC
0.95
chi0v
0.95
Q_VSA_HYD
0.95
Q_VSA_POS
0.95
vdw_area
0.95
chi1v
0.94
Kier1
0.93
chi0v_C
0.93

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.70
lip_violation
0.67
a_don
0.64
lip_don
0.62
lip_druglike
0.57
opr_leadlike
0.56
ast_violation_ext
0.56
ast_violation
0.54
b_double
0.48
rings
0.41
ast_fraglike
0.32
reactive
0.30
opr_nring
0.29
ast_fraglike_ext
0.26
MOST FREQUENT VALUES
42.646626
26
0.9%
40.460209000000006
25
0.8%
27.286554
25
0.8%
28.677761
24
0.8%
31.226175
22
0.7%
40.560623
21
0.7%
38.37421
21
0.7%
33.166553
20
0.7%
14.509691
20
0.7%
27.421761
18
0.6%
30.980140999999996
18
0.6%
36.187798
17
0.6%
35.795795
17
0.6%
33.522381
17
0.6%
36.357796
17
0.6%
SMALLEST VALUES
5.7640351999999995
1
0.0%
10.136863
13
0.4%
11.52807
2
0.1%
11.65007
1
0.0%
12.323277000000001
10
0.3%
12.652656
7
0.2%
12.776863
1
0.0%
13.163276999999999
3
0.1%
13.189691
1
0.0%
13.836484
3
0.1%
14.076483999999999
1
0.0%
14.239277
4
0.1%
14.509691
20
0.7%
14.603276999999999
1
0.0%
14.619484
1
0.0%
LARGEST VALUES
150.46563999999998
2
0.1%
148.27922
1
0.0%
146.0928
1
0.0%
121.45346
1
0.0%
121.25425
1
0.0%
119.26704
2
0.1%
119.06783999999999
1
0.0%
117.08063
2
0.1%
116.88141999999999
2
0.1%
116.71863
2
0.1%
114.89421999999999
1
0.0%
114.69501000000001
1
0.0%
112.5086
2
0.1%
106.37535
1
0.0%
104.18894
1
0.0%
b_1rotN
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_rotN
0.98
Kier2
0.89
Kier3
0.88
KierA2
0.87
KierA3
0.87
KierFlex
0.83
opr_nrot
0.81
diameter
0.80
radius
0.79
Kier1
0.79
Q_VSA_HYD
0.77
Q_VSA_POS
0.77
vdw_area
0.77
a_IC
0.77

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.72
lip_don
0.72
opr_violation
0.61
ast_violation_ext
0.60
b_double
0.56
ast_violation
0.54
lip_violation
0.51
opr_leadlike
0.49
lip_druglike
0.45
Protein_descriptors_HDAC11
0.35
crossterm_pr_pr10
0.35
crossterm_pr_pr19
0.35
crossterm_pr_pr27
0.35
crossterm_pr_pr34
0.35
MOST FREQUENT VALUES
8
400
13.4%
10
351
11.8%
7
349
11.7%
9
333
11.2%
6
283
9.5%
5
231
7.7%
11
209
7.0%
4
185
6.2%
3
176
5.9%
12
158
5.3%
13
125
4.2%
14
54
1.8%
2
48
1.6%
15
26
0.9%
1
15
0.5%
SMALLEST VALUES
0
1
0.0%
1
15
0.5%
2
48
1.6%
3
176
5.9%
4
185
6.2%
5
231
7.7%
6
283
9.5%
7
349
11.7%
8
400
13.4%
9
333
11.2%
10
351
11.8%
11
209
7.0%
12
158
5.3%
13
125
4.2%
14
54
1.8%
LARGEST VALUES
58
2
0.1%
57
1
0.0%
56
1
0.0%
27
1
0.0%
21
1
0.0%
20
1
0.0%
19
3
0.1%
18
7
0.2%
17
9
0.3%
16
14
0.5%
15
26
0.9%
14
54
1.8%
13
125
4.2%
12
158
5.3%
11
209
7.0%
b_1rotR
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_rotR
0.97
b_max1len
0.78
b_1rotN
0.67
b_rotN
0.65
Kier3
0.53
opr_brigid
-0.53
KierA3
0.52
GCUT_SMR_0
-0.49
SlogP_VSA8
0.44
KierFlex
0.42
VDistEq
0.39
opr_nrot
0.39
KierA2
0.38
Kier2
0.37

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.55
opr_nring
0.50
lip_don
0.39
Protein_descriptors_HDAC11
0.39
crossterm_pr_pr10
0.39
crossterm_pr_pr19
0.39
crossterm_pr_pr27
0.39
crossterm_pr_pr34
0.39
crossterm_pr_pr40
0.39
crossterm_pr_pr45
0.39
crossterm_pr_pr49
0.39
crossterm_pr_pr52
0.39
crossterm_pr_pr54
0.39
crossterm_pr_pr55
0.39
MOST FREQUENT VALUES
0.33333334
144
4.8%
0.25
100
3.4%
0.2
94
3.2%
0.3125
64
2.1%
0.30303031
63
2.1%
0.2857143
56
1.9%
0.21428572
53
1.8%
0.22222222
49
1.6%
0.20689656
40
1.3%
0.31034482
39
1.3%
0.36363637
39
1.3%
0.27272728
38
1.3%
0.30000001
37
1.2%
0.25806451
37
1.2%
0.32352942
36
1.2%
SMALLEST VALUES
0.0
1
0.0%
0.047619049000000004
3
0.1%
0.050000000999999995
3
0.1%
0.052631579000000005
1
0.0%
0.074074075
1
0.0%
0.07692308
1
0.0%
0.079999998
2
0.1%
0.083333336
2
0.1%
0.08695652300000001
1
0.0%
0.08823529599999999
1
0.0%
0.09090909400000001
1
0.0%
0.09375
1
0.0%
0.095238097
1
0.0%
0.096774191
16
0.5%
0.1
32
1.1%
LARGEST VALUES
0.69230771
1
0.0%
0.60000002
1
0.0%
0.55555558
1
0.0%
0.51999998
11
0.4%
0.51327431
2
0.1%
0.5089286
1
0.0%
0.5045045
1
0.0%
0.5
16
0.5%
0.49090909999999993
1
0.0%
0.48275861
1
0.0%
0.47826087
3
0.1%
0.47058824
3
0.1%
0.45833334
1
0.0%
0.45714286
2
0.1%
0.45454547
5
0.2%
b_ar
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_aro
1.00
h_log_pbo
0.89
SlogP_VSA7
0.81
balabanJ
-0.68
h_logS
-0.68
opr_brigid
0.63
BCUT_SMR_2
0.58
logS
-0.58
SlogP
0.57
SMR_VSA5
0.56
BCUT_SLOGP_2
0.55
h_logP
0.53
BCUT_PEOE_1
-0.52
VAdjMa
0.51

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.73
rings
0.70
ast_violation
0.39
opr_violation
0.34
b_double
0.33
ast_violation_ext
0.33
lip_violation
0.32
opr_leadlike
0.27
ast_fraglike
0.25
lip_druglike
0.21
lip_don
0.19
ast_fraglike_ext
0.18
a_don
0.17
a_nCl
0.17
MOST FREQUENT VALUES
12
606
20.3%
6
415
13.9%
16
411
13.8%
17
395
13.2%
11
369
12.4%
10
155
5.2%
18
141
4.7%
22
131
4.4%
0
91
3.0%
5
75
2.5%
23
50
1.7%
21
31
1.0%
20
31
1.0%
15
21
0.7%
27
18
0.6%
SMALLEST VALUES
0
91
3.0%
5
75
2.5%
6
415
13.9%
10
155
5.2%
11
369
12.4%
12
606
20.3%
15
21
0.7%
16
411
13.8%
17
395
13.2%
18
141
4.7%
20
31
1.0%
21
31
1.0%
22
131
4.4%
23
50
1.7%
24
5
0.2%
LARGEST VALUES
35
1
0.0%
30
4
0.1%
29
5
0.2%
28
15
0.5%
27
18
0.6%
26
14
0.5%
24
5
0.2%
23
50
1.7%
22
131
4.4%
21
31
1.0%
20
31
1.0%
18
141
4.7%
17
395
13.2%
16
411
13.8%
15
21
0.7%
b_count
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_count
1.00
apol
1.00
chi0v
0.98
chi0v_C
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98
vdw_area
0.98
chi1v
0.98
h_mr
0.97
vdw_vol
0.97
mr
0.97
chi0
0.97
SMR
0.97
bpol
0.97

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.76
lip_violation
0.72
a_don
0.67
lip_don
0.65
lip_druglike
0.61
opr_leadlike
0.60
ast_violation_ext
0.59
ast_violation
0.58
rings
0.54
b_double
0.48
opr_nring
0.44
ast_fraglike
0.35
reactive
0.29
ast_fraglike_ext
0.28
MOST FREQUENT VALUES
57
121
4.1%
51
110
3.7%
53
108
3.6%
54
104
3.5%
65
103
3.5%
60
102
3.4%
49
100
3.4%
46
98
3.3%
48
95
3.2%
45
93
3.1%
52
85
2.8%
58
84
2.8%
63
81
2.7%
56
79
2.6%
55
79
2.6%
SMALLEST VALUES
9
1
0.0%
15
5
0.2%
18
4
0.1%
20
2
0.1%
21
7
0.2%
23
3
0.1%
24
8
0.3%
25
6
0.2%
26
8
0.3%
27
8
0.3%
28
3
0.1%
29
4
0.1%
30
2
0.1%
31
21
0.7%
32
3
0.1%
LARGEST VALUES
232
2
0.1%
229
1
0.0%
226
1
0.0%
173
2
0.1%
170
3
0.1%
167
4
0.1%
164
4
0.1%
161
2
0.1%
153
1
0.0%
150
1
0.0%
147
2
0.1%
144
2
0.1%
141
4
0.1%
138
5
0.2%
135
1
0.0%
b_double
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
2
1,236
41%
2.09
3
673
23%
2.42
1
601
20%
2.54
4
341
11%
2.45
5
89
3%
2.19
6
30
1%
2.91
7
10
0%
2.64
14
4
0%
3.09
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
b_double
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON b_double:
a_don
0.10
lip_don
0.09
ast_violation_ext
0.06
opr_violation
0.06
crossterm_pr_pr55
0.05
Protein_descriptors_HDAC11
0.05
crossterm_pr_pr10
0.05
crossterm_pr_pr19
0.05
crossterm_pr_pr27
0.05
crossterm_pr_pr34
0.05
crossterm_pr_pr40
0.05
crossterm_pr_pr45
0.05
crossterm_pr_pr49
0.05
crossterm_pr_pr52
0.05

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
CORRELATION RATIO WITH...
weinerPath
0.81
PEOE_VSA-5
0.72
SMR_VSA0
0.67
vsa_pol
0.67
PEOE_VSA_POL
0.64
PEOE_VSA_PPOS
0.62
TPSA
0.62
vsa_acc
0.62
Kier3
0.61
SlogP_VSA0
0.61
PEOE_VSA-2
0.61
h_emd
0.61
SlogP_VSA2
0.60
Kier2
0.60
b_heavy
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi1
1.00
a_heavy
1.00
zagreb
1.00
vdw_vol
0.99
h_mr
0.99
mr
0.99
chi0
0.99
SMR
0.99
Weight
0.98
chi0v
0.98
apol
0.97
chi1v
0.97
a_nC
0.97
weinerPol
0.96

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.78
lip_violation
0.75
rings
0.70
lip_druglike
0.64
a_don
0.64
opr_leadlike
0.64
ast_violation
0.64
ast_violation_ext
0.63
lip_don
0.62
opr_nring
0.61
b_double
0.45
ast_fraglike
0.39
ast_fraglike_ext
0.30
reactive
0.28
MOST FREQUENT VALUES
33
202
6.8%
32
196
6.6%
29
185
6.2%
28
185
6.2%
31
180
6.0%
26
178
6.0%
30
172
5.8%
27
163
5.5%
25
132
4.4%
35
131
4.4%
36
126
4.2%
34
115
3.9%
23
93
3.1%
24
91
3.0%
37
90
3.0%
SMALLEST VALUES
4
1
0.0%
6
5
0.2%
8
1
0.0%
9
5
0.2%
10
12
0.4%
11
2
0.1%
12
5
0.2%
13
7
0.2%
14
4
0.1%
15
2
0.1%
16
13
0.4%
17
14
0.5%
18
26
0.9%
19
25
0.8%
20
43
1.4%
LARGEST VALUES
113
2
0.1%
112
1
0.0%
111
1
0.0%
80
1
0.0%
79
2
0.1%
78
4
0.1%
77
3
0.1%
76
3
0.1%
74
3
0.1%
73
1
0.0%
72
2
0.1%
71
2
0.1%
67
1
0.0%
66
4
0.1%
65
5
0.2%
b_max1len
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_1rotR
0.78
b_rotR
0.74
b_1rotN
0.73
b_rotN
0.71
SlogP_VSA8
0.69
GCUT_SMR_0
-0.66
KierA3
0.64
Kier3
0.63
opr_nrot
0.62
KierFlex
0.59
KierA2
0.58
Kier2
0.57
PEOE_VSA+5
0.56
BCUT_SMR_0
-0.56

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.52
lip_don
0.50
a_don
0.50
ast_violation
0.42
opr_violation
0.41
opr_nring
0.32
crossterm_pr_pr55
0.32
Protein_descriptors_HDAC11
0.31
crossterm_pr_pr10
0.31
crossterm_pr_pr19
0.31
crossterm_pr_pr27
0.31
crossterm_pr_pr34
0.31
crossterm_pr_pr40
0.31
crossterm_pr_pr45
0.31
MOST FREQUENT VALUES
7
754
25.3%
2
537
18.0%
5
436
14.6%
6
436
14.6%
3
241
8.1%
4
226
7.6%
1
199
6.7%
8
101
3.4%
9
25
0.8%
10
12
0.4%
11
7
0.2%
12
6
0.2%
13
4
0.1%
SMALLEST VALUES
1
199
6.7%
2
537
18.0%
3
241
8.1%
4
226
7.6%
5
436
14.6%
6
436
14.6%
7
754
25.3%
8
101
3.4%
9
25
0.8%
10
12
0.4%
11
7
0.2%
12
6
0.2%
13
4
0.1%
LARGEST VALUES
13
4
0.1%
12
6
0.2%
11
7
0.2%
10
12
0.4%
9
25
0.8%
8
101
3.4%
7
754
25.3%
6
436
14.6%
5
436
14.6%
4
226
7.6%
3
241
8.1%
2
537
18.0%
1
199
6.7%
b_rotN
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_1rotN
0.98
Kier3
0.89
KierA3
0.88
Kier2
0.87
KierA2
0.86
KierFlex
0.82
diameter
0.79
radius
0.78
Kier1
0.78
opr_nrot
0.77
TPSA
0.77
h_emd
0.77
lip_acc
0.76
a_IC
0.76

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.74
a_don
0.74
ast_violation_ext
0.62
opr_violation
0.61
b_double
0.59
ast_violation
0.54
lip_violation
0.49
opr_leadlike
0.49
lip_druglike
0.43
Protein_descriptors_HDAC11
0.35
crossterm_pr_pr10
0.35
crossterm_pr_pr19
0.35
crossterm_pr_pr27
0.35
crossterm_pr_pr34
0.35
MOST FREQUENT VALUES
10
340
11.4%
9
325
10.9%
7
278
9.3%
8
273
9.1%
11
260
8.7%
12
243
8.1%
13
229
7.7%
6
195
6.5%
5
183
6.1%
4
174
5.8%
14
135
4.5%
15
129
4.3%
16
68
2.3%
17
43
1.4%
3
39
1.3%
SMALLEST VALUES
1
1
0.0%
2
15
0.5%
3
39
1.3%
4
174
5.8%
5
183
6.1%
6
195
6.5%
7
278
9.3%
8
273
9.1%
9
325
10.9%
10
340
11.4%
11
260
8.7%
12
243
8.1%
13
229
7.7%
14
135
4.5%
15
129
4.3%
LARGEST VALUES
68
2
0.1%
67
1
0.0%
66
1
0.0%
29
1
0.0%
23
2
0.1%
22
1
0.0%
21
4
0.1%
20
7
0.2%
19
13
0.4%
18
22
0.7%
17
43
1.4%
16
68
2.3%
15
129
4.3%
14
135
4.5%
13
229
7.7%
b_rotR
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_1rotR
0.97
b_max1len
0.74
b_rotN
0.64
opr_brigid
-0.62
b_1rotN
0.61
Kier3
0.52
KierA3
0.51
GCUT_SMR_0
-0.46
SlogP_VSA8
0.40
PEOE_VSA+5
0.39
KierFlex
0.39
PEOE_VSA_FPPOS
0.35
crossterm_pr_pr3
-0.35
Protein_descriptors_HDAC4
-0.35

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.63
opr_nring
0.57
lip_don
0.42
a_don
0.42
Protein_descriptors_HDAC11
0.37
crossterm_pr_pr10
0.37
crossterm_pr_pr19
0.37
crossterm_pr_pr27
0.37
crossterm_pr_pr34
0.37
crossterm_pr_pr40
0.37
crossterm_pr_pr45
0.37
crossterm_pr_pr49
0.37
crossterm_pr_pr52
0.37
crossterm_pr_pr54
0.37
MOST FREQUENT VALUES
0.33333334
105
3.5%
0.25
79
2.6%
0.375
65
2.2%
0.22857143
61
2.0%
0.36363637
60
2.0%
0.40000001
55
1.8%
0.2857143
50
1.7%
0.2
47
1.6%
0.42307693
41
1.4%
0.16666667
39
1.3%
0.38461539
37
1.2%
0.22222222
37
1.2%
0.38235295
36
1.2%
0.5
36
1.2%
0.34482759
35
1.2%
SMALLEST VALUES
0.095238097
3
0.1%
0.1
3
0.1%
0.10526316
1
0.0%
0.11538462
1
0.0%
0.12
2
0.1%
0.125
3
0.1%
0.12903225
16
0.5%
0.13043478
1
0.0%
0.13157895
1
0.0%
0.13333334
26
0.9%
0.13513513
1
0.0%
0.13636364
2
0.1%
0.13793103
14
0.5%
0.14285715
5
0.2%
0.14705883
5
0.2%
LARGEST VALUES
0.76923078
1
0.0%
0.69999999
1
0.0%
0.66666669
1
0.0%
0.625
1
0.0%
0.60176992
2
0.1%
0.60000002
18
0.6%
0.59821427
1
0.0%
0.5945946
1
0.0%
0.58333331
4
0.1%
0.57692307
1
0.0%
0.56666666
2
0.1%
0.56521738
4
0.1%
0.56
3
0.1%
0.55882353
1
0.0%
0.55555558
2
0.1%
b_single
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_nH
0.99
bpol
0.98
a_count
0.96
b_count
0.96
KierA1
0.94
apol
0.93
a_IC
0.92
chi0v
0.91
chi0v_C
0.91
chi1v
0.91
Q_VSA_HYD
0.91
Q_VSA_POS
0.91
vdw_area
0.91
KierFlex
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.67
a_don
0.66
lip_violation
0.65
lip_don
0.64
lip_druglike
0.55
opr_leadlike
0.53
b_double
0.51
ast_violation_ext
0.50
ast_violation
0.48
rings
0.39
reactive
0.32
ast_fraglike
0.27
opr_nring
0.27
ast_fraglike_ext
0.23
MOST FREQUENT VALUES
33
131
4.4%
39
128
4.3%
35
127
4.3%
32
116
3.9%
34
115
3.9%
37
115
3.9%
38
114
3.8%
50
107
3.6%
36
107
3.6%
41
107
3.6%
29
104
3.5%
30
95
3.2%
31
94
3.2%
48
93
3.1%
45
81
2.7%
SMALLEST VALUES
8
1
0.0%
13
4
0.1%
14
5
0.2%
15
1
0.0%
16
18
0.6%
17
6
0.2%
18
17
0.6%
19
26
0.9%
20
17
0.6%
21
22
0.7%
22
32
1.1%
23
28
0.9%
24
32
1.1%
25
35
1.2%
26
42
1.4%
LARGEST VALUES
202
2
0.1%
199
1
0.0%
196
1
0.0%
160
1
0.0%
159
1
0.0%
157
2
0.1%
156
1
0.0%
155
2
0.1%
154
2
0.1%
153
2
0.1%
151
1
0.0%
150
1
0.0%
147
2
0.1%
137
1
0.0%
134
1
0.0%
b_triple
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,952
99%
2.31
1
32
1%
2.81
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
b_triple
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON b_triple:
a_nF
0.19
opr_violation
0.13
opr_nring
0.11
rings
0.11
lip_violation
0.09
crossterm_pr_pr55
0.07
Protein_descriptors_HDAC11
0.05
crossterm_pr_pr10
0.05
crossterm_pr_pr19
0.05
crossterm_pr_pr27
0.05
crossterm_pr_pr34
0.05
crossterm_pr_pr40
0.05
crossterm_pr_pr45
0.05
crossterm_pr_pr49
0.05

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_triple
CORRELATION RATIO WITH...
PEOE_VSA-3
0.26
logS
0.18
SMR_VSA3
0.16
SlogP_VSA3
0.16
h_logP
0.14
h_logS
0.14
h_logD
0.14
vsa_other
0.11
SMR_VSA1
0.11
SlogP_VSA4
0.11
SlogP_VSA6
0.10
vsa_acc
0.09
logP(o/w)
0.08
GCUT_PEOE_1
0.08
chi0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_heavy
1.00
chi1
0.99
Kier1
0.99
vdw_vol
0.99
Weight
0.99
chi0v
0.99
h_mr
0.99
mr
0.99
b_heavy
0.99
Q_VSA_HYD
0.99
Q_VSA_POS
0.99
vdw_area
0.99
SMR
0.98
apol
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.78
lip_violation
0.75
a_don
0.69
lip_don
0.66
lip_druglike
0.65
opr_leadlike
0.64
ast_violation_ext
0.64
ast_violation
0.63
rings
0.58
b_double
0.50
opr_nring
0.49
ast_fraglike
0.37
reactive
0.30
ast_fraglike_ext
0.29
MOST FREQUENT VALUES
23.468044
48
1.6%
18.35516
46
1.5%
15.786245999999998
38
1.3%
18.070704
37
1.2%
17.363595999999998
36
1.2%
22.053831
36
1.2%
22.216969
35
1.2%
16.656489999999998
32
1.1%
21.183588
31
1.0%
19.93251
31
1.0%
21.346724
30
1.0%
18.614674
29
1.0%
22.760939
28
0.9%
22.924073999999997
28
0.9%
24.338287
27
0.9%
SMALLEST VALUES
4.2844572
1
0.0%
5.6986704
5
0.2%
6.690234700000001
4
0.1%
7.112883999999999
1
0.0%
7.3973413
4
0.1%
7.819991099999999
1
0.0%
8.1044483
2
0.1%
8.5270977
1
0.0%
8.690234199999999
7
0.2%
8.811554899999999
5
0.2%
9.5186615
6
0.2%
10.225767999999999
1
0.0%
10.388906
3
0.1%
10.648418
1
0.0%
10.673362
1
0.0%
LARGEST VALUES
80.755348
2
0.1%
80.048241
1
0.0%
79.34114100000001
1
0.0%
56.285152000000004
1
0.0%
55.578044999999996
2
0.1%
54.870941
4
0.1%
54.163833999999994
3
0.1%
53.456726
3
0.1%
53.172268
2
0.1%
50.207802
1
0.0%
49.500694
1
0.0%
48.793591
2
0.1%
48.086483
2
0.1%
46.810463
2
0.1%
46.103355
3
0.1%
chi0v
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
apol
0.99
h_mr
0.99
Q_VSA_HYD
0.99
Q_VSA_POS
0.99
vdw_area
0.99
chi1v
0.99
mr
0.99
chi0
0.99
vdw_vol
0.99
Weight
0.99
SMR
0.99
a_heavy
0.99
a_IC
0.98
b_count
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.78
lip_violation
0.73
a_don
0.66
lip_don
0.64
opr_leadlike
0.63
ast_violation_ext
0.63
lip_druglike
0.63
ast_violation
0.63
rings
0.57
opr_nring
0.48
b_double
0.47
ast_fraglike
0.38
reactive
0.30
ast_fraglike_ext
0.30
MOST FREQUENT VALUES
18.711706
25
0.8%
18.971218
22
0.7%
16.621494000000002
20
0.7%
14.636276
18
0.6%
17.629215
17
0.6%
20.239777
17
0.6%
17.328602
14
0.5%
13.329726
14
0.5%
19.732025
13
0.4%
16.282324
12
0.4%
14.248564000000002
12
0.4%
15.353757
11
0.4%
13.560863000000001
11
0.4%
15.298879999999999
11
0.4%
15.136276
10
0.3%
SMALLEST VALUES
2.8554618
1
0.0%
4.269675299999999
5
0.2%
5.0541325
4
0.1%
5.390996
1
0.0%
5.761239099999999
4
0.1%
5.9493198
2
0.1%
6.0981026
1
0.0%
6.396914
2
0.1%
6.6564269
3
0.1%
6.8052092
1
0.0%
7.2612391
7
0.2%
7.363533500000001
6
0.2%
7.5516143
1
0.0%
7.7278118000000005
3
0.1%
7.7913407999999995
1
0.0%
LARGEST VALUES
63.619457
2
0.1%
62.91235
1
0.0%
62.205242000000005
1
0.0%
47.553905
1
0.0%
47.131836
1
0.0%
46.846798
1
0.0%
46.424728
2
0.1%
46.13969
2
0.1%
45.717621
2
0.1%
45.432587
1
0.0%
45.010517
1
0.0%
44.725479
2
0.1%
44.706879
2
0.1%
42.596149
1
0.0%
41.889041999999996
1
0.0%
chi0v_C
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi0_C
0.99
apol
0.98
a_nC
0.98
b_count
0.98
a_count
0.98
vdw_vol
0.97
vsa_hyd
0.97
SMR
0.97
chi0v
0.96
mr
0.96
h_mr
0.96
chi1v_C
0.96
PEOE_VSA_HYD
0.96
Q_VSA_HYD
0.96

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.73
lip_violation
0.70
rings
0.60
a_don
0.59
opr_leadlike
0.58
lip_druglike
0.58
ast_violation
0.57
lip_don
0.56
ast_violation_ext
0.55
opr_nring
0.50
b_double
0.43
ast_fraglike
0.35
ast_fraglike_ext
0.28
reactive
0.28
MOST FREQUENT VALUES
12.386387
31
1.0%
10.129392
29
1.0%
13.016144
27
0.9%
15.22325
26
0.9%
14.22325
25
0.8%
11.629392
25
0.8%
15.482763
23
0.8%
13.6459
21
0.7%
13.516144
17
0.6%
13.72325
17
0.6%
16.151817
15
0.5%
9.6293917
15
0.5%
14.361443
14
0.5%
10.388906
14
0.5%
11.957819
14
0.5%
SMALLEST VALUES
1.5
1
0.0%
2.9142137000000004
5
0.2%
3.3284271
1
0.0%
3.6986706
4
0.1%
4.0355339
1
0.0%
4.4057775
4
0.1%
4.593858200000001
2
0.1%
4.7426405
1
0.0%
5.0414519
2
0.1%
5.3009648
3
0.1%
5.4641018
9
0.3%
5.5414519
1
0.0%
5.9057775
7
0.2%
5.9641018
3
0.1%
6.0080719
6
0.2%
LARGEST VALUES
45.245853000000004
2
0.1%
44.53875
1
0.0%
43.831641999999995
1
0.0%
38.946498999999996
1
0.0%
38.446498999999996
1
0.0%
38.239395
1
0.0%
37.739395
2
0.1%
37.532288
2
0.1%
37.032288
2
0.1%
36.825179999999996
1
0.0%
36.454937
2
0.1%
36.325179999999996
1
0.0%
36.118072999999995
2
0.1%
34.844208
1
0.0%
34.1371
1
0.0%
chi0_C
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_nC
0.99
chi0v_C
0.99
vdw_vol
0.97
apol
0.97
SMR
0.97
mr
0.97
vsa_hyd
0.97
h_mr
0.96
a_hyd
0.96
b_count
0.96
chi1v_C
0.96
PEOE_VSA_HYD
0.96
b_heavy
0.95
chi1
0.95

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.73
lip_violation
0.69
rings
0.64
opr_leadlike
0.58
ast_violation
0.58
lip_druglike
0.57
a_don
0.56
opr_nring
0.55
ast_violation_ext
0.55
lip_don
0.54
b_double
0.42
ast_fraglike
0.36
ast_fraglike_ext
0.28
reactive
0.26
MOST FREQUENT VALUES
14.200459
56
1.9%
16.93251
54
1.8%
11.242275999999999
47
1.6%
9.957819
44
1.5%
13.940947
43
1.4%
14.77781
39
1.3%
15.93251
39
1.3%
11.819627
36
1.2%
15.355160999999999
35
1.2%
10.664926
35
1.2%
11.372033
35
1.2%
15.225404000000001
32
1.1%
12.786246
28
0.9%
12.242275999999999
26
0.9%
12.656489
24
0.8%
SMALLEST VALUES
1.5773503
1
0.0%
2.9915637999999998
5
0.2%
3.4057775
1
0.0%
3.9831276
4
0.1%
4.112883999999999
1
0.0%
4.6902347
4
0.1%
4.819991099999999
1
0.0%
5.3973413
2
0.1%
5.9831275999999995
7
0.2%
6.1044478
5
0.2%
6.2342043
1
0.0%
6.4746914
7
0.2%
6.5520415000000005
3
0.1%
6.8115549
6
0.2%
6.9746914
3
0.1%
LARGEST VALUES
47.416698
2
0.1%
46.709590999999996
1
0.0%
46.002483000000005
1
0.0%
40.059383000000004
1
0.0%
39.482033
1
0.0%
39.352276
1
0.0%
38.774929
2
0.1%
38.645171999999995
2
0.1%
38.067822
2
0.1%
37.938065
1
0.0%
37.360714
3
0.1%
37.230957000000004
2
0.1%
36.11179
1
0.0%
35.404682
1
0.0%
34.697578
2
0.1%
chi1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_heavy
1.00
b_heavy
1.00
vdw_vol
0.99
h_mr
0.99
chi0
0.99
mr
0.99
SMR
0.99
Weight
0.99
zagreb
0.98
chi0v
0.98
Kier1
0.98
apol
0.98
Q_VSA_HYD
0.97
Q_VSA_POS
0.97

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.79
lip_violation
0.75
a_don
0.67
lip_druglike
0.65
opr_leadlike
0.65
lip_don
0.64
rings
0.64
ast_violation_ext
0.64
ast_violation
0.64
opr_nring
0.56
b_double
0.48
ast_fraglike
0.39
ast_fraglike_ext
0.30
reactive
0.27
MOST FREQUENT VALUES
16.084049
53
1.8%
14.652199
36
1.2%
12.685872
26
0.9%
14.956729000000001
21
0.7%
10.685872
20
0.7%
10.292025
19
0.6%
12.741515
18
0.6%
12.079719
17
0.6%
11.596556
17
0.6%
15.456729000000001
17
0.6%
12.990402
15
0.5%
12.702708
15
0.5%
12.185872
15
0.5%
14.152199
14
0.5%
11.579719
14
0.5%
SMALLEST VALUES
2.2700555000000002
1
0.0%
3.3080604
5
0.2%
4.3080606
1
0.0%
4.342535
4
0.1%
4.8080606
1
0.0%
4.842535
4
0.1%
5.2567487
7
0.2%
5.3080606
1
0.0%
5.3256984
2
0.1%
5.8256984
5
0.2%
6.3256984
6
0.2%
6.757550200000001
3
0.1%
6.8080606
1
0.0%
6.825698399999999
1
0.0%
7.2195453999999994
2
0.1%
LARGEST VALUES
52.799011
2
0.1%
52.299011
1
0.0%
51.799011
1
0.0%
35.833847
1
0.0%
35.333847
1
0.0%
35.256351
1
0.0%
34.833847
2
0.1%
34.756351
2
0.1%
34.333847
1
0.0%
34.256351
2
0.1%
33.833847
2
0.1%
33.756351
1
0.0%
33.183868
2
0.1%
32.846649
1
0.0%
32.346649
1
0.0%
chi1v
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi0v
0.99
apol
0.99
mr
0.98
h_mr
0.98
Weight
0.98
vdw_vol
0.98
SMR
0.98
a_IC
0.98
b_count
0.98
chi0
0.97
a_heavy
0.97
Q_VSA_HYD
0.97
Q_VSA_POS
0.97
vdw_area
0.97

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.77
lip_violation
0.73
a_don
0.65
ast_violation_ext
0.63
lip_don
0.63
opr_leadlike
0.63
ast_violation
0.62
lip_druglike
0.62
rings
0.60
opr_nring
0.50
b_double
0.47
ast_fraglike
0.39
ast_fraglike_ext
0.30
reactive
0.29
MOST FREQUENT VALUES
11.005092999999999
25
0.8%
11.328389
22
0.7%
9.965100300000001
20
0.7%
11.905508
17
0.6%
10.510941
17
0.6%
8.8404837
16
0.5%
6.9759569
14
0.5%
10.411275
14
0.5%
9.2202778
12
0.4%
8.2382269
11
0.4%
8.9882269
11
0.4%
9.8262844
10
0.3%
12.10078
10
0.3%
8.5597601
10
0.3%
6.093521599999999
10
0.3%
SMALLEST VALUES
1.1777309
1
0.0%
2.2383912
5
0.2%
2.9782078
4
0.1%
3.0312843
1
0.0%
3.2955212999999994
2
0.1%
3.4782078000000003
4
0.1%
3.4990981
2
0.1%
3.5312843000000003
1
0.0%
3.7955212999999994
3
0.1%
4.0221542999999995
3
0.1%
4.0312843
1
0.0%
4.1657648
1
0.0%
4.1971164000000005
7
0.2%
4.226728400000001
7
0.2%
4.2955213
6
0.2%
LARGEST VALUES
38.218784
2
0.1%
37.718784
1
0.0%
37.218784
1
0.0%
27.694810999999998
1
0.0%
27.454459999999997
1
0.0%
27.194810999999998
1
0.0%
26.954459999999997
2
0.1%
26.694810999999998
2
0.1%
26.454459999999997
2
0.1%
26.194810999999998
1
0.0%
25.95446
1
0.0%
25.775429000000003
2
0.1%
25.694810999999998
2
0.1%
25.299389
1
0.0%
24.799389
1
0.0%
chi1v_C
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi1_C
0.96
chi0v_C
0.96
a_nC
0.96
chi0_C
0.96
apol
0.94
b_count
0.94
a_hyd
0.93
a_count
0.93
vdw_vol
0.92
mr
0.91
SMR
0.91
h_mr
0.91
chi1v
0.91
chi0v
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.71
lip_violation
0.67
rings
0.61
a_don
0.57
lip_druglike
0.55
opr_leadlike
0.55
lip_don
0.54
ast_violation
0.53
opr_nring
0.52
ast_violation_ext
0.51
b_double
0.40
ast_fraglike
0.33
ast_fraglike_ext
0.26
reactive
0.25
MOST FREQUENT VALUES
5.7522707
32
1.1%
7.993688099999999
25
0.8%
7.4778328
23
0.8%
8.3169851
23
0.8%
6.2522707
22
0.7%
4.8034182
22
0.7%
7.7420697
19
0.6%
8.0854397
18
0.6%
6.0224910000000005
16
0.5%
7.1647196
16
0.5%
5.5671492
15
0.5%
6.105824500000001
14
0.5%
7.831386099999999
14
0.5%
8.3394938
14
0.5%
4.9760675
14
0.5%
SMALLEST VALUES
0.5
1
0.0%
1.5606601
5
0.2%
1.8535534
1
0.0%
2.3004767999999998
4
0.1%
2.3535532999999997
1
0.0%
2.6177905
2
0.1%
2.6487173999999998
2
0.1%
2.7320509
4
0.1%
2.8004767999999998
4
0.1%
2.8213673
2
0.1%
2.8535532999999997
2
0.1%
2.9755618999999998
3
0.1%
2.9820509
9
0.3%
3.0284741000000004
3
0.1%
3.1177905
3
0.1%
LARGEST VALUES
23.843643
2
0.1%
23.343643
1
0.0%
22.843643
1
0.0%
19.840765
1
0.0%
19.340765
1
0.0%
19.171663
1
0.0%
18.840765
2
0.1%
18.671663
2
0.1%
18.340765
1
0.0%
18.171663
2
0.1%
17.986542
2
0.1%
17.840765
2
0.1%
17.790289
1
0.0%
17.671663
1
0.0%
17.290289
1
0.0%
chi1_C
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi1v_C
0.96
a_nC
0.96
a_hyd
0.95
chi0_C
0.95
chi0v_C
0.92
vdw_vol
0.89
SMR
0.89
mr
0.88
b_heavy
0.88
h_mr
0.88
apol
0.88
zagreb
0.88
vsa_hyd
0.87
chi1
0.87

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.69
opr_violation
0.67
lip_violation
0.64
opr_nring
0.62
opr_leadlike
0.52
ast_violation
0.52
lip_druglike
0.51
ast_violation_ext
0.49
a_don
0.49
lip_don
0.47
b_double
0.36
ast_fraglike
0.33
ast_fraglike_ext
0.26
a_nS
0.24
MOST FREQUENT VALUES
10.065646000000001
66
2.2%
7.0244045
37
1.2%
9.5075684
35
1.2%
6.9158163
23
0.8%
9.7323132
22
0.7%
8.749149300000001
21
0.7%
6.2828231
19
0.6%
9.4158163
19
0.6%
9.0075684
18
0.6%
9.9158163
18
0.6%
7.2659864
17
0.6%
7.099319500000001
17
0.6%
7.398979700000001
17
0.6%
7.6742344
17
0.6%
7.432653
16
0.5%
SMALLEST VALUES
0.57735026
1
0.0%
1.6153549999999999
5
0.2%
1.9082483000000001
1
0.0%
2.4082482000000005
1
0.0%
2.6498299
4
0.1%
2.9082482000000005
1
0.0%
3.0749148999999996
1
0.0%
3.1498299
4
0.1%
3.4082482000000005
1
0.0%
3.4831634
3
0.1%
3.5640435
7
0.2%
3.5749148999999996
1
0.0%
3.6329932
2
0.1%
3.7828231
3
0.1%
3.9494898000000003
6
0.2%
LARGEST VALUES
25.727915
2
0.1%
25.227915
1
0.0%
24.727915
1
0.0%
21.098661
1
0.0%
20.598661
1
0.0%
20.340244000000002
1
0.0%
20.098661
2
0.1%
19.840244000000002
2
0.1%
19.598661
1
0.0%
19.340244000000002
2
0.1%
19.137501
1
0.0%
19.098661
2
0.1%
19.00691
2
0.1%
19.006586
3
0.1%
18.914835
1
0.0%
chiral
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_single
0.74
a_nH
0.71
SMR_VSA3
0.70
bpol
0.69
KierA1
0.69
a_count
0.68
b_count
0.68
SlogP_VSA2
0.67
weinerPol
0.66
chi0v_C
0.66
apol
0.65
chi1v_C
0.65
h_emd_C
0.65
chi0v
0.64

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_violation
0.60
a_don
0.59
lip_don
0.55
opr_violation
0.50
lip_druglike
0.40
reactive
0.39
rings
0.37
b_double
0.29
ast_violation_ext
0.26
ast_violation
0.25
opr_leadlike
0.25
opr_nring
0.24
crossterm_pr_pr55
0.17
Protein_descriptors_HDAC11
0.16
MOST FREQUENT VALUES
0
2,007
67.3%
1
651
21.8%
2
126
4.2%
3
79
2.6%
4
56
1.9%
18
15
0.5%
7
13
0.4%
6
12
0.4%
14
10
0.3%
13
6
0.2%
8
5
0.2%
11
2
0.1%
5
2
0.1%
SMALLEST VALUES
0
2,007
67.3%
1
651
21.8%
2
126
4.2%
3
79
2.6%
4
56
1.9%
5
2
0.1%
6
12
0.4%
7
13
0.4%
8
5
0.2%
11
2
0.1%
13
6
0.2%
14
10
0.3%
18
15
0.5%
LARGEST VALUES
18
15
0.5%
14
10
0.3%
13
6
0.2%
11
2
0.1%
8
5
0.2%
7
13
0.4%
6
12
0.4%
5
2
0.1%
4
56
1.9%
3
79
2.6%
2
126
4.2%
1
651
21.8%
0
2,007
67.3%
chiral_u
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,742
92%
2.29
1
218
7%
2.58
2
19
1%
2.98
3
5
0%
2.08
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
chiral_u
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON chiral_u:
opr_nring
0.06
lip_don
0.04
a_don
0.04
rings
0.03
a_nS
0.03
ast_violation_ext
0.03
b_double
0.03
opr_violation
0.03
crossterm_pr_pr55
0.03
a_nBr
0.02
Protein_descriptors_HDAC11
0.02
crossterm_pr_pr10
0.02
crossterm_pr_pr19
0.02
crossterm_pr_pr27
0.02

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
chiral_u
CORRELATION RATIO WITH...
BCUT_PEOE_3
0.17
BCUT_SMR_3
0.16
h_log_dbo
0.15
a_ICM
0.13
BCUT_SLOGP_3
0.13
BCUT_SMR_0
0.13
BCUT_PEOE_0
0.12
SMR_VSA5
0.12
h_pstrain
0.12
GCUT_PEOE_3
0.11
GCUT_SLOGP_3
0.11
SMR_VSA2
0.11
SlogP_VSA8
0.11
chiral
0.11
density
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_ICM
0.91
PEOE_VSA_FPNEG
0.55
PEOE_VSA_FPOL
0.53
PEOE_VSA_FHYD
-0.53
GCUT_SMR_2
0.47
GCUT_PEOE_1
-0.41
PEOE_VSA_FPPOS
0.39
GCUT_SLOGP_1
-0.38
logP(o/w)
-0.37
SlogP_VSA1
0.36
PEOE_VSA_PNEG
0.36
vsa_acc
0.36
GCUT_SLOGP_2
0.35
PEOE_VSA_POL
0.34

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nS
0.51
a_nF
0.41
a_nBr
0.34
a_nCl
0.27
ast_violation_ext
0.26
lip_don
0.23
a_don
0.22
rings
0.16
opr_nring
0.15
opr_violation
0.13
a_nI
0.13
ast_violation
0.11
b_double
0.11
opr_leadlike
0.10
MOST FREQUENT VALUES
0.80954701
47
1.6%
0.80535346
29
1.0%
0.83528966
18
0.6%
0.76753032
18
0.6%
0.91186219
17
0.6%
0.82774687
17
0.6%
0.77310216
14
0.5%
0.79945278
14
0.5%
0.80237824
13
0.4%
0.79926944
13
0.4%
0.7763471
12
0.4%
0.81194311
12
0.4%
0.81832314
11
0.4%
0.75375533
11
0.4%
0.78320009
11
0.4%
SMALLEST VALUES
0.7300607
1
0.0%
0.73771459
1
0.0%
0.73931897
1
0.0%
0.74006677
1
0.0%
0.74219942
3
0.1%
0.74600685
3
0.1%
0.74715787
2
0.1%
0.74792057
2
0.1%
0.74892384
1
0.0%
0.74935353
8
0.3%
0.74973339
7
0.2%
0.74982589
1
0.0%
0.75039816
1
0.0%
0.7505854999999999
1
0.0%
0.75125563
7
0.2%
LARGEST VALUES
1.0709870000000001
1
0.0%
1.0660257
1
0.0%
1.0434705
2
0.1%
0.99960619
1
0.0%
0.99803114
2
0.1%
0.99352992
1
0.0%
0.99092871
1
0.0%
0.9882470999999999
1
0.0%
0.98540276
1
0.0%
0.98414731
1
0.0%
0.97783703
2
0.1%
0.97638702
1
0.0%
0.97500581
6
0.2%
0.97432727
7
0.2%
0.97399157
1
0.0%
diameter
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
radius
0.99
VDistEq
0.95
Kier2
0.86
Kier1
0.84
KierA2
0.82
Weight
0.82
chi1
0.82
Q_VSA_HYD
0.82
Q_VSA_POS
0.82
vdw_area
0.82
a_IC
0.82
a_heavy
0.82
chi0
0.82
h_mr
0.82

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.70
ast_violation_ext
0.67
a_don
0.66
lip_don
0.66
lip_violation
0.64
ast_violation
0.61
opr_leadlike
0.57
lip_druglike
0.55
b_double
0.47
rings
0.42
ast_fraglike
0.38
opr_nring
0.38
ast_fraglike_ext
0.34
Protein_descriptors_HDAC11
0.33
MOST FREQUENT VALUES
15
441
14.8%
14
417
14.0%
17
367
12.3%
16
288
9.7%
18
267
8.9%
13
179
6.0%
20
177
5.9%
19
177
5.9%
21
108
3.6%
22
83
2.8%
12
78
2.6%
11
68
2.3%
10
59
2.0%
23
50
1.7%
24
29
1.0%
SMALLEST VALUES
3
1
0.0%
5
9
0.3%
6
11
0.4%
7
24
0.8%
8
17
0.6%
9
28
0.9%
10
59
2.0%
11
68
2.3%
12
78
2.6%
13
179
6.0%
14
417
14.0%
15
441
14.8%
16
288
9.7%
17
367
12.3%
18
267
8.9%
LARGEST VALUES
57
2
0.1%
56
1
0.0%
55
1
0.0%
35
1
0.0%
34
1
0.0%
33
2
0.1%
32
4
0.1%
31
11
0.4%
30
14
0.5%
29
17
0.6%
28
9
0.3%
27
3
0.1%
26
14
0.5%
25
26
0.9%
24
29
1.0%
FCharge
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,980
99%
2.31
1
3
0%
4.36
2
1
0%
4.15
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
FCharge
PROVIDES INFORMATION ON...
a_acid
1.00
a_base
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00

THESE FEATURES GIVE INFORMATION
ON FCharge:
a_base
1.00
vsa_base
1.00
opr_nring
0.65
rings
0.65
ast_violation_ext
0.42
lip_don
0.39
ast_fraglike
0.35
ast_violation
0.35
Protein_descriptors_HDAC11
0.25
crossterm_pr_pr10
0.25
crossterm_pr_pr19
0.25
crossterm_pr_pr27
0.25
crossterm_pr_pr34
0.25
crossterm_pr_pr40
0.25

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
FCharge
CORRELATION RATIO WITH...
GCUT_SLOGP_0
0.72
PEOE_VSA_FPPOS
0.29
GCUT_SMR_0
0.27
h_logP
0.27
h_logS
0.22
PEOE_VSA+6
0.20
BCUT_SLOGP_0
0.20
balabanJ
0.17
PEOE_RPC-
0.16
h_logD
0.16
h_emd
0.16
PEOE_VSA_FPOL
0.15
PEOE_VSA_FHYD
0.15
VAdjMa
0.15
GCUT_PEOE_0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA+1
-0.53
h_pavgQ
-0.40
SMR_VSA6
-0.34
BCUT_SLOGP_0
0.33
h_pKb
0.29
GCUT_SMR_3
-0.27
SlogP_VSA3
-0.27
GCUT_PEOE_3
-0.26
h_pstates
-0.25
GCUT_SLOGP_3
-0.24
SMR_VSA2
-0.24
density
0.24
vsa_hyd
-0.24
PEOE_VSA_POS
-0.23

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.29
rings
0.28
ast_violation_ext
0.23
a_don
0.18
lip_don
0.16
Protein_descriptors_HDAC11
0.16
crossterm_pr_pr10
0.16
crossterm_pr_pr19
0.16
crossterm_pr_pr27
0.16
crossterm_pr_pr34
0.16
crossterm_pr_pr40
0.16
crossterm_pr_pr45
0.16
crossterm_pr_pr49
0.16
crossterm_pr_pr52
0.16
MOST FREQUENT VALUES
-0.8249709000000001
56
1.9%
-0.82497078
25
0.8%
-0.8249284
25
0.8%
-0.82492852
22
0.7%
-0.82496613
21
0.7%
-0.82492834
16
0.5%
-0.82497102
16
0.5%
-0.82496768
16
0.5%
-0.82497096
15
0.5%
-0.84294736
14
0.5%
-0.8249711999999999
13
0.4%
-0.82497084
13
0.4%
-0.82486695
12
0.4%
-0.82506341
12
0.4%
-0.82160318
12
0.4%
SMALLEST VALUES
-0.97429806
1
0.0%
-0.9021849000000001
1
0.0%
-0.89696574
1
0.0%
-0.89665717
1
0.0%
-0.887483
5
0.2%
-0.88518053
1
0.0%
-0.88275313
1
0.0%
-0.88210726
1
0.0%
-0.87946129
1
0.0%
-0.87719917
1
0.0%
-0.87712771
1
0.0%
-0.87582624
1
0.0%
-0.87575811
1
0.0%
-0.87569124
1
0.0%
-0.87402821
3
0.1%
LARGEST VALUES
-0.81999224
4
0.1%
-0.82155895
1
0.0%
-0.82156003
9
0.3%
-0.82156193
3
0.1%
-0.82156277
4
0.1%
-0.8215636000000001
1
0.0%
-0.82156378
4
0.1%
-0.82156408
4
0.1%
-0.8215642
2
0.1%
-0.8215754000000001
4
0.1%
-0.82157946
1
0.0%
-0.82158679
1
0.0%
-0.82158691
2
0.1%
-0.82158703
1
0.0%
-0.82158726
1
0.0%
GCUT_PEOE_1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
GCUT_SMR_1
0.51
BCUT_SLOGP_1
0.47
a_ICM
-0.46
PEOE_VSA_FPNEG
-0.45
GCUT_SLOGP_1
0.44
PEOE_VSA_FHYD
0.43
PEOE_VSA_FPOL
-0.43
density
-0.41
BCUT_PEOE_1
0.41
GCUT_SMR_2
-0.38
GCUT_PEOE_2
-0.37
GCUT_SLOGP_2
-0.37
vsa_other
-0.36
SMR_VSA4
-0.35

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.36
lip_don
0.34
ast_violation_ext
0.32
b_double
0.24
rings
0.21
a_nF
0.21
opr_nring
0.18
opr_violation
0.17
lip_violation
0.17
opr_leadlike
0.16
ast_violation
0.16
lip_druglike
0.12
crossterm_pr_pr55
0.11
a_nS
0.10
MOST FREQUENT VALUES
-0.43248782
25
0.8%
-0.42926666
22
0.7%
-0.38995311
15
0.5%
-0.39952898
14
0.5%
-0.38882184
11
0.4%
-0.40405616
10
0.3%
-0.38882181
10
0.3%
-0.40307674
10
0.3%
-0.41204250000000003
10
0.3%
-0.41161990000000004
10
0.3%
-0.40959709999999994
10
0.3%
-0.40289089
9
0.3%
-0.40835324
9
0.3%
-0.40190053
9
0.3%
-0.39857626
9
0.3%
SMALLEST VALUES
-0.48344868
1
0.0%
-0.46364567
3
0.1%
-0.46305931
3
0.1%
-0.46186861
1
0.0%
-0.45773742
1
0.0%
-0.45769528
1
0.0%
-0.45676801
1
0.0%
-0.45390272
1
0.0%
-0.4531844
2
0.1%
-0.45247498
3
0.1%
-0.45247138
6
0.2%
-0.45221522
2
0.1%
-0.45006305
3
0.1%
-0.44853365
1
0.0%
-0.44660392
1
0.0%
LARGEST VALUES
-0.3194544
1
0.0%
-0.33119583
1
0.0%
-0.33253449
1
0.0%
-0.34454846
1
0.0%
-0.34743455
1
0.0%
-0.34960741
1
0.0%
-0.34986821
1
0.0%
-0.34992135
1
0.0%
-0.35070515
1
0.0%
-0.35109273
2
0.1%
-0.35325453
1
0.0%
-0.35639963
1
0.0%
-0.35640879999999997
2
0.1%
-0.35848704
3
0.1%
-0.35933164
1
0.0%
GCUT_PEOE_2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SLOGP_1
-0.72
BCUT_PEOE_2
0.67
GCUT_SMR_1
-0.67
BCUT_SMR_1
-0.62
BCUT_PEOE_1
-0.62
GCUT_SMR_2
0.61
GCUT_SLOGP_2
0.61
BCUT_SMR_2
0.60
SMR_VSA7
-0.59
SlogP_VSA9
-0.57
BCUT_SLOGP_2
0.57
GCUT_PEOE_3
-0.45
GCUT_SLOGP_3
-0.44
GCUT_SMR_3
-0.44

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.24
a_don
0.20
lip_don
0.20
opr_violation
0.17
rings
0.16
ast_violation
0.15
opr_nring
0.15
a_base
0.14
FCharge
0.14
vsa_base
0.14
ast_violation_ext
0.14
opr_leadlike
0.14
lip_violation
0.12
ast_fraglike_ext
0.12
MOST FREQUENT VALUES
0.07973087599999999
28
0.9%
0.067260087
25
0.8%
0.060222365
22
0.7%
0.079297125
15
0.5%
0.054797887999999996
14
0.5%
0.093814671
12
0.4%
0.10950468
10
0.3%
0.083608672
10
0.3%
0.081778839
10
0.3%
0.075698338
10
0.3%
0.07927379799999999
10
0.3%
0.082151599
10
0.3%
0.067253076
9
0.3%
0.11358418
9
0.3%
0.056092504
9
0.3%
SMALLEST VALUES
-0.11304159
1
0.0%
-0.11287470000000001
1
0.0%
-0.11287457
1
0.0%
-0.08419965199999999
1
0.0%
-0.079675734
1
0.0%
-0.079486318
1
0.0%
-0.078843117
1
0.0%
-0.076116689
1
0.0%
-0.076116465
1
0.0%
-0.076115772
1
0.0%
-0.076115504
1
0.0%
-0.075415179
1
0.0%
-0.075408563
1
0.0%
-0.052293174000000005
1
0.0%
-0.05229317
1
0.0%
LARGEST VALUES
0.18493639
1
0.0%
0.18493448
3
0.1%
0.17093036
2
0.1%
0.16697264
1
0.0%
0.16359356
2
0.1%
0.16024937
1
0.0%
0.15907723
1
0.0%
0.15462188
1
0.0%
0.15231152
1
0.0%
0.15190883
1
0.0%
0.14936896
1
0.0%
0.14810945
1
0.0%
0.14809635
1
0.0%
0.14796495
2
0.1%
0.14783806
8
0.3%
GCUT_PEOE_3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
GCUT_SMR_3
0.99
GCUT_SLOGP_3
0.98
chi1v_C
0.83
chi0v_C
0.81
b_single
0.81
b_count
0.80
a_nH
0.80
weinerPol
0.79
a_count
0.79
chi0_C
0.78
apol
0.78
a_nC
0.77
bpol
0.77
a_hyd
0.76

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.58
opr_violation
0.52
lip_violation
0.50
opr_nring
0.49
ast_violation
0.46
lip_druglike
0.42
opr_leadlike
0.42
a_don
0.41
ast_violation_ext
0.40
lip_don
0.37
ast_fraglike
0.34
b_double
0.29
ast_fraglike_ext
0.27
reactive
0.24
MOST FREQUENT VALUES
2.7742007
25
0.8%
2.8335485
22
0.7%
2.4848046000000004
14
0.5%
2.7790639
10
0.3%
2.3464494
10
0.3%
2.7015634
10
0.3%
2.5506806
10
0.3%
2.8188927
10
0.3%
2.7576389
9
0.3%
2.8707363999999997
9
0.3%
2.5830991
9
0.3%
2.6034915
9
0.3%
2.7563102
9
0.3%
2.5198138
9
0.3%
2.9954603
9
0.3%
SMALLEST VALUES
1.604177
1
0.0%
1.9777726000000002
5
0.2%
2.0546067
2
0.1%
2.0988541
1
0.0%
2.1042182
1
0.0%
2.1070869
2
0.1%
2.1384048
3
0.1%
2.1708066
4
0.1%
2.1782916
7
0.2%
2.1841378
2
0.1%
2.202611
3
0.1%
2.2079935
1
0.0%
2.2286878
1
0.0%
2.2290061000000003
1
0.0%
2.2325312999999998
1
0.0%
LARGEST VALUES
3.7310781000000004
1
0.0%
3.7176157999999995
1
0.0%
3.6204646
1
0.0%
3.6197562000000008
2
0.1%
3.6189597
2
0.1%
3.618679
1
0.0%
3.6183300000000003
2
0.1%
3.618062
1
0.0%
3.6180432000000002
1
0.0%
3.6173307999999995
2
0.1%
3.6165287000000004
1
0.0%
3.6156243999999997
2
0.1%
3.5307193
1
0.0%
3.5300542999999998
1
0.0%
3.5293126000000004
2
0.1%
GCUT_SLOGP_0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
vsa_don
-0.40
PEOE_VSA_FPPOS
-0.37
h_logP
0.34
PEOE_VSA-2
-0.33
h_emd
-0.30
h_logD
0.30
SlogP_VSA0
-0.29
GCUT_SMR_0
0.28
PEOE_VSA_FPOL
-0.26
PEOE_VSA_FHYD
0.26
SlogP
0.26
PEOE_VSA_PPOS
-0.25
SMR_VSA4
-0.25
vsa_pol
-0.25

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_base
0.72
FCharge
0.72
vsa_base
0.72
lip_don
0.46
rings
0.34
opr_nring
0.34
a_don
0.30
b_double
0.18
opr_violation
0.15
ast_violation_ext
0.15
Protein_descriptors_HDAC11
0.14
crossterm_pr_pr10
0.14
crossterm_pr_pr19
0.14
crossterm_pr_pr27
0.14
MOST FREQUENT VALUES
-1.1683488000000002
200
6.7%
-1.1683487
94
3.2%
-1.1683501
85
2.8%
-1.1683898000000001
81
2.7%
-1.168285
54
1.8%
-1.1682851
52
1.7%
-1.1683483000000001
46
1.5%
-1.1682868
42
1.4%
-1.1682867000000001
41
1.4%
-1.1683502000000001
38
1.3%
-1.1682866000000003
38
1.3%
-1.1682860000000002
37
1.2%
-1.168287
36
1.2%
-1.1682857
35
1.2%
-1.1682861
35
1.2%
SMALLEST VALUES
-2.2503017999999995
1
0.0%
-2.2347107000000004
1
0.0%
-2.2347081
1
0.0%
-2.2347014
1
0.0%
-1.4354061000000002
6
0.2%
-1.4327024
1
0.0%
-1.3840933000000002
4
0.1%
-1.3840801999999999
2
0.1%
-1.3710405
8
0.3%
-1.3710403
8
0.3%
-1.3710402
2
0.1%
-1.3710178
2
0.1%
-1.3704343
2
0.1%
-1.3704108
2
0.1%
-1.3637974
1
0.0%
LARGEST VALUES
-1.161598
1
0.0%
-1.1617175
1
0.0%
-1.1682261
1
0.0%
-1.1682816999999999
1
0.0%
-1.1682825000000001
5
0.2%
-1.1682826000000002
10
0.3%
-1.1682832
2
0.1%
-1.1682833000000001
2
0.1%
-1.1682834999999998
2
0.1%
-1.1682836
4
0.1%
-1.1682837
4
0.1%
-1.1682839
4
0.1%
-1.1682843
9
0.3%
-1.1682845
1
0.0%
-1.1682848
3
0.1%
GCUT_SLOGP_1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_FPNEG
-0.51
PEOE_VSA_FHYD
0.49
PEOE_VSA_FPOL
-0.49
SlogP
0.48
GCUT_PEOE_1
0.44
logP(o/w)
0.44
SMR_VSA0
-0.40
a_nO
-0.39
PEOE_VSA_PNEG
-0.39
h_log_dbo
-0.39
h_logP
0.38
density
-0.38
vsa_acc
-0.38
PEOE_VSA_POL
-0.37

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.33
lip_don
0.33
a_don
0.33
b_double
0.23
a_nS
0.20
rings
0.17
a_nF
0.16
opr_violation
0.15
crossterm_pr_pr55
0.14
opr_nring
0.14
Protein_descriptors_HDAC11
0.13
crossterm_pr_pr10
0.13
crossterm_pr_pr19
0.13
crossterm_pr_pr27
0.13
MOST FREQUENT VALUES
-0.33697212
25
0.8%
-0.35117781
22
0.7%
-0.26386139
17
0.6%
-0.31081688
14
0.5%
-0.31331572
10
0.3%
-0.32343021
10
0.3%
-0.36309516
10
0.3%
-0.29593292
10
0.3%
-0.31294635
10
0.3%
-0.27002254
9
0.3%
-0.32800275
9
0.3%
-0.31061211
9
0.3%
-0.28832313
9
0.3%
-0.32048294
9
0.3%
-0.34417239
9
0.3%
SMALLEST VALUES
-0.449325
1
0.0%
-0.44560105
1
0.0%
-0.43086043
1
0.0%
-0.42709339
1
0.0%
-0.42186144
1
0.0%
-0.42144901
1
0.0%
-0.42079902
1
0.0%
-0.42022651
3
0.1%
-0.41982198
3
0.1%
-0.41943666
3
0.1%
-0.418475
2
0.1%
-0.41748834
1
0.0%
-0.41748694
6
0.2%
-0.41748607
1
0.0%
-0.4170143
2
0.1%
LARGEST VALUES
-0.24008429
1
0.0%
-0.24008831
2
0.1%
-0.25567493
2
0.1%
-0.25575608
1
0.0%
-0.26133633
1
0.0%
-0.26386139
17
0.6%
-0.26418135
3
0.1%
-0.2644572
1
0.0%
-0.26478156
1
0.0%
-0.26552865
1
0.0%
-0.26564392
1
0.0%
-0.2657012
1
0.0%
-0.26578438
1
0.0%
-0.26614282
1
0.0%
-0.26643196
1
0.0%
GCUT_SLOGP_2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SLOGP_2
0.88
BCUT_SMR_2
0.83
BCUT_PEOE_2
0.76
BCUT_PEOE_1
-0.74
GCUT_SMR_2
0.71
BCUT_SMR_1
-0.63
GCUT_PEOE_2
0.61
a_nH
-0.56
b_single
-0.55
SMR_VSA7
-0.55
BCUT_SLOGP_1
-0.54
bpol
-0.51
a_ICM
0.47
GCUT_PEOE_3
-0.47

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nF
0.36
b_double
0.33
opr_nring
0.29
rings
0.28
a_don
0.28
a_nCl
0.26
opr_violation
0.25
lip_don
0.25
a_nS
0.21
lip_violation
0.19
lip_druglike
0.16
opr_leadlike
0.16
ast_violation
0.13
ast_violation_ext
0.13
MOST FREQUENT VALUES
0.16445385
386
12.9%
0.14657632
29
1.0%
0.14582518
25
0.8%
0.13365261
22
0.7%
0.26019999
16
0.5%
0.10845557
14
0.5%
0.054200001
10
0.3%
0.18307272
10
0.3%
0.19126774
10
0.3%
0.037591558
10
0.3%
0.12532233
9
0.3%
0.14561538
9
0.3%
0.18711352
9
0.3%
0.14029785
9
0.3%
0.20982529
9
0.3%
SMALLEST VALUES
-0.037000000000000005
3
0.1%
-0.022381053999999997
1
0.0%
-0.022380142999999998
1
0.0%
-0.022378692000000002
1
0.0%
-0.022378581
1
0.0%
-0.02212063
1
0.0%
-0.022111485
1
0.0%
-0.009600109
1
0.0%
-0.009597361
1
0.0%
-0.008744762
2
0.1%
-0.008744752
1
0.0%
-0.008744724
2
0.1%
-0.008744716999999999
1
0.0%
-0.008744700000000001
1
0.0%
-0.008297468
1
0.0%
LARGEST VALUES
0.26019999
16
0.5%
0.25950962
1
0.0%
0.25933042
1
0.0%
0.2592836
1
0.0%
0.25850859
1
0.0%
0.25775662
1
0.0%
0.25649461
1
0.0%
0.25440747
6
0.2%
0.25064301
3
0.1%
0.25015038
1
0.0%
0.24826029
1
0.0%
0.24715894
1
0.0%
0.24442665
1
0.0%
0.24402553
1
0.0%
0.24296379
2
0.1%
GCUT_SLOGP_3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
GCUT_SMR_3
0.99
GCUT_PEOE_3
0.98
chi1v_C
0.84
chi0v_C
0.82
chi0_C
0.79
a_hyd
0.79
weinerPol
0.79
a_nC
0.78
b_count
0.78
chi1_C
0.77
b_single
0.77
a_nH
0.77
a_count
0.77
apol
0.76

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.63
opr_nring
0.55
opr_violation
0.53
lip_violation
0.50
ast_violation
0.47
opr_leadlike
0.42
ast_violation_ext
0.40
lip_druglike
0.40
a_don
0.36
ast_fraglike
0.35
lip_don
0.32
ast_fraglike_ext
0.27
b_double
0.22
reactive
0.21
MOST FREQUENT VALUES
2.8699081000000004
25
0.8%
2.921026
22
0.7%
2.5785925
14
0.5%
2.8168776
10
0.3%
2.9672992000000002
10
0.3%
2.664046
10
0.3%
2.5235648
10
0.3%
2.8330986
10
0.3%
2.6955845000000003
9
0.3%
3.0992862999999997
9
0.3%
3.0073371
9
0.3%
2.8599169
9
0.3%
2.8231618
9
0.3%
2.6904852000000004
9
0.3%
2.5868927999999998
9
0.3%
SMALLEST VALUES
1.5214812
1
0.0%
2.0217549999999997
5
0.2%
2.180454
2
0.1%
2.1843097
2
0.1%
2.1971655
1
0.0%
2.2467134
1
0.0%
2.2569272999999996
4
0.1%
2.2612746
2
0.1%
2.2692127
1
0.0%
2.2731068
1
0.0%
2.280026
3
0.1%
2.2820663
1
0.0%
2.2863326
3
0.1%
2.3126132
7
0.2%
2.3152304
1
0.0%
LARGEST VALUES
3.7989132000000003
1
0.0%
3.7840512000000004
1
0.0%
3.6025641000000004
1
0.0%
3.6016631
1
0.0%
3.6015839999999995
1
0.0%
3.6006650999999996
2
0.1%
3.6005883
2
0.1%
3.5995555
1
0.0%
3.5994821000000004
2
0.1%
3.5983202000000003
2
0.1%
3.5983118999999997
2
0.1%
3.5982516
1
0.0%
3.5146132000000003
1
0.0%
3.5136317999999997
1
0.0%
3.5125525
2
0.1%
GCUT_SMR_0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SMR_0
0.83
BCUT_PEOE_0
0.78
b_max1len
-0.66
BCUT_SLOGP_3
-0.63
SlogP_VSA8
-0.61
BCUT_PEOE_3
-0.59
BCUT_SLOGP_0
0.58
BCUT_SMR_3
-0.50
b_1rotR
-0.49
b_rotR
-0.46
h_pKa
-0.46
opr_nrot
-0.45
b_1rotN
-0.43
b_single
-0.42

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.35
lip_don
0.33
opr_violation
0.31
a_don
0.30
ast_violation
0.29
a_base
0.27
FCharge
0.27
vsa_base
0.27
ast_fraglike_ext
0.24
opr_leadlike
0.22
opr_nring
0.21
rings
0.20
ast_fraglike
0.18
lip_violation
0.17
MOST FREQUENT VALUES
-0.53046769
25
0.8%
-0.53139472
25
0.8%
-0.53116781
22
0.7%
-0.52630413
19
0.6%
-0.53089768
16
0.5%
-0.52647239
15
0.5%
-0.50901592
14
0.5%
-0.53088546
14
0.5%
-0.4870806
12
0.4%
-0.53088647
11
0.4%
-0.53044742
10
0.3%
-0.53066945
10
0.3%
-0.48807707
10
0.3%
-0.48345116
10
0.3%
-0.52892011
10
0.3%
SMALLEST VALUES
-0.64477754
1
0.0%
-0.64182711
1
0.0%
-0.64181364
1
0.0%
-0.6417833000000001
1
0.0%
-0.58907402
1
0.0%
-0.58041811
3
0.1%
-0.57395726
6
0.2%
-0.571859
1
0.0%
-0.57182026
1
0.0%
-0.57181913
1
0.0%
-0.57158041
1
0.0%
-0.57158005
1
0.0%
-0.56724417
1
0.0%
-0.56156689
1
0.0%
-0.54233372
1
0.0%
LARGEST VALUES
-0.48332128
1
0.0%
-0.48339537
1
0.0%
-0.48339608
2
0.1%
-0.48339683
1
0.0%
-0.48340905
1
0.0%
-0.48341632
3
0.1%
-0.48341662
1
0.0%
-0.48341796
1
0.0%
-0.48341829
2
0.1%
-0.48341918
1
0.0%
-0.4834193
2
0.1%
-0.48341942
2
0.1%
-0.48341948
4
0.1%
-0.48341978
2
0.1%
-0.48341981
3
0.1%
GCUT_SMR_1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SLOGP_1
0.69
GCUT_PEOE_2
-0.67
GCUT_PEOE_1
0.51
BCUT_PEOE_1
0.48
SMR_VSA7
0.47
SlogP_VSA9
0.45
BCUT_SMR_1
0.43
GCUT_SMR_2
-0.41
PEOE_VSA_FPOL
-0.40
PEOE_VSA_FHYD
0.40
BCUT_PEOE_2
-0.38
PEOE_VSA_FPPOS
-0.36
BCUT_SMR_2
-0.35
PEOE_VSA_FPNEG
-0.35

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.41
a_don
0.41
ast_violation_ext
0.26
b_double
0.23
ast_violation
0.17
opr_nring
0.17
a_nS
0.17
crossterm_pr_pr55
0.16
Protein_descriptors_HDAC11
0.15
crossterm_pr_pr10
0.15
crossterm_pr_pr19
0.15
crossterm_pr_pr27
0.15
crossterm_pr_pr34
0.15
crossterm_pr_pr40
0.15
MOST FREQUENT VALUES
-0.21605732
407
13.6%
-0.21791568
25
0.8%
-0.22108851
22
0.7%
-0.20318848
14
0.5%
-0.23708077
10
0.3%
-0.22532813
10
0.3%
-0.22730614
10
0.3%
-0.22834136
9
0.3%
-0.22654997
9
0.3%
-0.2321717
9
0.3%
-0.20913339
9
0.3%
-0.22968270000000002
9
0.3%
-0.23589569
9
0.3%
-0.21329191
8
0.3%
-0.22822197
8
0.3%
SMALLEST VALUES
-0.24986559
4
0.1%
-0.24913196
6
0.2%
-0.248127
4
0.1%
-0.24587559999999997
1
0.0%
-0.24586797
1
0.0%
-0.24422841
3
0.1%
-0.24368533
1
0.0%
-0.24367318
1
0.0%
-0.24352847
1
0.0%
-0.24309817
1
0.0%
-0.24304940000000003
1
0.0%
-0.24251133
2
0.1%
-0.24241927
1
0.0%
-0.24220976
1
0.0%
-0.24084131
1
0.0%
LARGEST VALUES
-0.10046014
1
0.0%
-0.10522588
1
0.0%
-0.10525689
1
0.0%
-0.13297479
1
0.0%
-0.13955563
2
0.1%
-0.13959555
1
0.0%
-0.15372631
1
0.0%
-0.15493277
1
0.0%
-0.15495282
1
0.0%
-0.15496334
1
0.0%
-0.15505818
1
0.0%
-0.15901847
1
0.0%
-0.16041732
1
0.0%
-0.1608073
1
0.0%
-0.16085933
1
0.0%
GCUT_SMR_2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
BCUT_SMR_2
0.77
GCUT_SLOGP_2
0.71
BCUT_PEOE_2
0.63
BCUT_SLOGP_2
0.62
GCUT_PEOE_2
0.61
BCUT_PEOE_1
-0.61
a_ICM
0.55
BCUT_SLOGP_1
-0.51
GCUT_PEOE_3
-0.48
density
0.47
GCUT_SMR_3
-0.45
BCUT_SMR_1
-0.44
GCUT_SLOGP_3
-0.44
GCUT_SMR_1
-0.41

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nS
0.37
a_nCl
0.37
b_double
0.25
opr_nring
0.25
a_don
0.25
lip_don
0.24
rings
0.23
a_nBr
0.19
Protein_descriptors_HDAC11
0.16
crossterm_pr_pr10
0.16
crossterm_pr_pr19
0.16
crossterm_pr_pr27
0.16
crossterm_pr_pr34
0.16
crossterm_pr_pr40
0.16
MOST FREQUENT VALUES
0.19305076
438
14.7%
0.16514221
29
1.0%
0.17260352
25
0.8%
0.16146204
22
0.7%
0.13904895
14
0.5%
0.20289668
10
0.3%
0.16027555
10
0.3%
0.26547787
10
0.3%
0.22688842
9
0.3%
0.2097268
9
0.3%
0.197192
9
0.3%
0.17230295
9
0.3%
0.21456961
9
0.3%
0.16807494
9
0.3%
0.21347725
8
0.3%
SMALLEST VALUES
0.072071962
1
0.0%
0.072169282
1
0.0%
0.072175749
1
0.0%
0.10853165
1
0.0%
0.11056072
2
0.1%
0.11082288
1
0.0%
0.11082833
1
0.0%
0.11082889
1
0.0%
0.1108303
1
0.0%
0.11220219999999999
1
0.0%
0.11220891
1
0.0%
0.11389155
7
0.2%
0.11471841
1
0.0%
0.11472075
1
0.0%
0.11497382
1
0.0%
LARGEST VALUES
0.32432753
1
0.0%
0.32116136
2
0.1%
0.31460065
1
0.0%
0.30846784
1
0.0%
0.30282253
1
0.0%
0.29719335
3
0.1%
0.29708629999999997
1
0.0%
0.29700008
1
0.0%
0.29106086
3
0.1%
0.29002398
3
0.1%
0.28099898
3
0.1%
0.2809979
2
0.1%
0.28010714
1
0.0%
0.27982783
1
0.0%
0.27981848
2
0.1%
GCUT_SMR_3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
GCUT_PEOE_3
0.99
GCUT_SLOGP_3
0.99
chi1v_C
0.83
chi0v_C
0.82
weinerPol
0.81
chi0_C
0.80
b_count
0.80
a_nC
0.79
a_hyd
0.79
b_single
0.79
a_count
0.78
apol
0.78
a_nH
0.78
zagreb
0.77

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.63
opr_nring
0.54
opr_violation
0.52
lip_violation
0.50
ast_violation
0.48
opr_leadlike
0.42
lip_druglike
0.42
ast_violation_ext
0.41
a_don
0.40
ast_fraglike
0.36
lip_don
0.36
b_double
0.29
ast_fraglike_ext
0.27
reactive
0.23
MOST FREQUENT VALUES
3.0344784
25
0.8%
3.0837262
22
0.7%
2.7694454
14
0.5%
2.9958305
10
0.3%
2.6655173
10
0.3%
3.0258
10
0.3%
2.8537054
10
0.3%
3.1068766
10
0.3%
3.0471222
9
0.3%
2.8441021
9
0.3%
3.1451439999999997
9
0.3%
3.2643976
9
0.3%
2.7805068
9
0.3%
2.892355
9
0.3%
2.9911287
9
0.3%
SMALLEST VALUES
1.8215497
1
0.0%
2.1895723
5
0.2%
2.3662803
2
0.1%
2.3864214
2
0.1%
2.404171
1
0.0%
2.4147336
1
0.0%
2.4182048
4
0.1%
2.4260826
1
0.0%
2.4403436000000003
3
0.1%
2.4552436
7
0.2%
2.4705374
3
0.1%
2.4855254
2
0.1%
2.4895007999999996
1
0.0%
2.515732
1
0.0%
2.5209081
1
0.0%
LARGEST VALUES
3.9574983
1
0.0%
3.944397
1
0.0%
3.8248718
1
0.0%
3.8241413
2
0.1%
3.8233182
2
0.1%
3.8224885000000004
1
0.0%
3.8224857000000005
2
0.1%
3.8223888999999995
1
0.0%
3.8218322
1
0.0%
3.8210955
2
0.1%
3.8202648
1
0.0%
3.8193262000000003
2
0.1%
3.7482266
1
0.0%
3.7475602999999995
1
0.0%
3.7468150000000002
2
0.1%
h_ema
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
lip_acc
0.95
a_acc
0.94
a_donacc
0.91
TPSA
0.91
PEOE_PC-
-0.90
PEOE_PC+
0.89
a_IC
0.87
vsa_pol
0.86
KierA1
0.84
Kier1
0.84
Weight
0.84
chi0
0.82
KierA2
0.82
Q_VSA_HYD
0.82

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.70
lip_don
0.68
lip_violation
0.65
opr_violation
0.65
ast_violation_ext
0.59
lip_druglike
0.58
b_double
0.54
ast_violation
0.53
opr_leadlike
0.52
rings
0.37
reactive
0.31
ast_fraglike
0.30
opr_nring
0.29
crossterm_pr_pr55
0.24
MOST FREQUENT VALUES
7.9019089000000005
25
0.8%
7.9198241
22
0.7%
5.5804152
14
0.5%
5.320599099999999
10
0.3%
3.7587523000000003
10
0.3%
14.114769
10
0.3%
2.833221
10
0.3%
10.381403
10
0.3%
6.740017900000001
9
0.3%
17.120623000000002
9
0.3%
5.344016099999999
9
0.3%
7.1445284
9
0.3%
6.9986095
9
0.3%
8.3913574
9
0.3%
8.773543400000001
9
0.3%
SMALLEST VALUES
2.7918358
1
0.0%
2.7952824
3
0.1%
2.7956884
2
0.1%
2.7980392000000003
5
0.2%
2.8024886
1
0.0%
2.804157
1
0.0%
2.8086085
1
0.0%
2.8092046
1
0.0%
2.8098447
1
0.0%
2.8107982000000002
1
0.0%
2.8109138
2
0.1%
2.8126457
1
0.0%
2.8126607000000003
1
0.0%
2.8126812
2
0.1%
2.8204916
1
0.0%
LARGEST VALUES
46.808186
2
0.1%
46.807693
1
0.0%
46.806084000000006
1
0.0%
26.932959000000004
1
0.0%
26.932808
2
0.1%
26.932315999999997
2
0.1%
26.930708000000003
1
0.0%
26.457528999999997
1
0.0%
26.457481
1
0.0%
26.457331
2
0.1%
26.456839000000002
1
0.0%
26.455231
2
0.1%
24.540815
2
0.1%
23.181013
1
0.0%
23.180965
1
0.0%
h_emd
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
TPSA
0.93
lip_acc
0.91
a_donacc
0.90
vsa_pol
0.90
PEOE_PC+
0.90
PEOE_PC-
-0.88
Kier1
0.88
Kier2
0.87
a_IC
0.87
PEOE_VSA_POL
0.86
KierA2
0.86
chi0
0.85
Weight
0.84
KierA1
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.86
a_don
0.85
opr_violation
0.71
lip_violation
0.68
ast_violation_ext
0.64
lip_druglike
0.61
b_double
0.61
opr_leadlike
0.58
ast_violation
0.55
rings
0.34
crossterm_pr_pr55
0.25
Protein_descriptors_HDAC11
0.25
crossterm_pr_pr10
0.25
crossterm_pr_pr19
0.25
MOST FREQUENT VALUES
17.062057
25
0.8%
17.040379
22
0.7%
11.295881
14
0.5%
14.127873999999998
10
0.3%
20.000912
10
0.3%
16.508770000000002
10
0.3%
11.005206
10
0.3%
10.147069
10
0.3%
11.365744
9
0.3%
11.374075
9
0.3%
16.820448000000003
9
0.3%
14.898317
9
0.3%
14.366769
9
0.3%
13.172395000000002
9
0.3%
16.910563
9
0.3%
SMALLEST VALUES
6.819270599999999
1
0.0%
6.9426146
5
0.2%
7.062174799999999
4
0.1%
7.1440239000000005
4
0.1%
7.196923299999999
7
0.2%
7.728380199999999
2
0.1%
7.7331944
1
0.0%
7.7633228
2
0.1%
7.8331833
1
0.0%
7.9253368
1
0.0%
7.9256687
1
0.0%
7.963975
1
0.0%
7.9834061
1
0.0%
8.0555515
1
0.0%
8.0597963
3
0.1%
LARGEST VALUES
73.068878
2
0.1%
72.999336
1
0.0%
72.926147
1
0.0%
47.712849
1
0.0%
37.508327
2
0.1%
35.651897
2
0.1%
35.420437
1
0.0%
35.352352
1
0.0%
35.283928
2
0.1%
35.214386
1
0.0%
35.141197
2
0.1%
34.5513
1
0.0%
34.482876
2
0.1%
34.413334000000006
2
0.1%
34.340145
1
0.0%
h_emd_C
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Kier1
0.91
chi0
0.90
Q_VSA_HYD
0.90
Q_VSA_POS
0.90
vdw_area
0.90
a_heavy
0.89
a_IC
0.89
KierA1
0.89
chi1
0.89
chi0v
0.89
Weight
0.88
PEOE_PC+
0.88
a_count
0.88
b_count
0.88

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.69
lip_violation
0.65
a_don
0.58
lip_druglike
0.57
lip_don
0.55
opr_leadlike
0.54
ast_violation_ext
0.51
b_double
0.50
rings
0.47
ast_violation
0.46
opr_nring
0.36
reactive
0.35
ast_fraglike
0.29
ast_fraglike_ext
0.24
MOST FREQUENT VALUES
8.8454285
25
0.8%
8.826758400000001
22
0.7%
5.8976321
14
0.5%
3.9050901
10
0.3%
4.7816696
10
0.3%
8.4217653
10
0.3%
5.2180557
10
0.3%
7.159973599999999
10
0.3%
6.0031886
9
0.3%
6.380302400000001
9
0.3%
6.1529984
9
0.3%
5.4143414000000005
9
0.3%
5.5329350999999996
9
0.3%
9.0680885
9
0.3%
6.6901031
9
0.3%
SMALLEST VALUES
1.4267216999999999
1
0.0%
1.5520313000000001
5
0.2%
1.6788412
4
0.1%
1.7628783
4
0.1%
1.8058238000000002
7
0.2%
2.2829311000000003
2
0.1%
2.2920722999999996
1
0.0%
2.3865163
1
0.0%
2.3916547
2
0.1%
2.4925108
1
0.0%
2.5172122000000003
1
0.0%
2.570118
1
0.0%
2.6173667999999997
1
0.0%
2.6488061000000003
1
0.0%
2.6515241
3
0.1%
LARGEST VALUES
31.217001
2
0.1%
31.146904
1
0.0%
31.071907
1
0.0%
24.529444
1
0.0%
24.461309
1
0.0%
24.392714
2
0.1%
24.322618
1
0.0%
24.247625
2
0.1%
22.520777
1
0.0%
22.45903
1
0.0%
22.452182999999998
2
0.1%
22.390895999999998
1
0.0%
22.382085999999997
2
0.1%
22.322302
2
0.1%
22.307093
1
0.0%
h_logD
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_logP
0.85
logP(o/w)
0.73
SlogP
0.72
logS
-0.62
h_logS
-0.58
SlogP_VSA7
0.49
a_aro
0.47
b_ar
0.46
h_pavgQ
-0.46
SlogP_VSA0
-0.42
PEOE_VSA-2
-0.39
h_log_pbo
0.39
SMR_VSA6
-0.37
h_ema
-0.35

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.52
a_don
0.51
b_double
0.49
opr_nring
0.34
lip_violation
0.33
rings
0.31
opr_violation
0.29
ast_violation
0.22
ast_violation_ext
0.20
opr_leadlike
0.19
a_nCl
0.19
a_base
0.16
FCharge
0.16
vsa_base
0.16
MOST FREQUENT VALUES
3.1117282000000004
25
0.8%
2.9172435
22
0.7%
3.0943234
14
0.5%
1.5032741000000003
10
0.3%
3.0355761
10
0.3%
4.4017167
10
0.3%
2.5631475
10
0.3%
3.2242341
10
0.3%
1.1163758999999998
9
0.3%
1.6169681999999999
9
0.3%
4.2579441
9
0.3%
1.5033083
9
0.3%
1.5990511
9
0.3%
3.0674491
9
0.3%
3.8355167000000003
9
0.3%
SMALLEST VALUES
-17.736172
1
0.0%
-17.22871
1
0.0%
-16.719885
2
0.1%
-5.7498198
1
0.0%
-3.9428144
2
0.1%
-3.83284
1
0.0%
-3.6734873999999995
1
0.0%
-3.1937344
1
0.0%
-3.0350587000000004
1
0.0%
-2.2521327
1
0.0%
-2.0789174999999998
1
0.0%
-1.6224213
1
0.0%
-1.6041149
1
0.0%
-1.4118548999999998
1
0.0%
-1.3020896999999998
1
0.0%
LARGEST VALUES
8.676953300000001
1
0.0%
8.0991163
1
0.0%
7.777147800000001
1
0.0%
7.708263400000001
8
0.3%
7.5869579
3
0.1%
7.4621868000000005
1
0.0%
7.4385462
1
0.0%
7.3092952
1
0.0%
7.2883100999999995
3
0.1%
7.2276678
1
0.0%
6.972088799999999
1
0.0%
6.913580900000001
1
0.0%
6.8803291
1
0.0%
6.5957985
1
0.0%
6.577285300000001
2
0.1%
h_logP
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
logP(o/w)
0.86
h_logD
0.85
SlogP
0.82
h_logS
-0.80
logS
-0.77
SlogP_VSA7
0.56
chi1_C
0.55
a_aro
0.53
b_ar
0.53
a_hyd
0.52
h_log_pbo
0.50
PEOE_VSA_FPOL
-0.47
PEOE_VSA_FHYD
0.47
SMR_VSA5
0.47

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.47
rings
0.46
lip_violation
0.34
opr_violation
0.33
ast_violation
0.31
lip_don
0.30
ast_violation_ext
0.29
a_base
0.27
FCharge
0.27
vsa_base
0.27
ast_fraglike
0.25
a_don
0.25
b_double
0.24
opr_leadlike
0.23
MOST FREQUENT VALUES
3.0984213
25
0.8%
2.9039371
22
0.7%
3.0496452
14
0.5%
3.2114177
10
0.3%
4.388449700000001
10
0.3%
2.9095747000000003
10
0.3%
2.5738897
10
0.3%
3.5302842000000005
10
0.3%
3.7863290000000003
9
0.3%
1.4992542
9
0.3%
1.1031809
9
0.3%
2.7473278
9
0.3%
4.2446752
9
0.3%
4.404997799999999
9
0.3%
1.6036618
9
0.3%
SMALLEST VALUES
-9.5444975
1
0.0%
-5.926483599999999
1
0.0%
-5.6703849
1
0.0%
-5.1610746
1
0.0%
-2.0800939
1
0.0%
-2.0734112000000002
1
0.0%
-1.9908804
2
0.1%
-1.5726794
1
0.0%
-1.4394013
1
0.0%
-1.2564201000000002
3
0.1%
-1.2358063
1
0.0%
-1.1866477
1
0.0%
-1.0638691999999998
2
0.1%
-0.97165269
2
0.1%
-0.9268291
1
0.0%
LARGEST VALUES
8.6636839
1
0.0%
8.253740299999999
1
0.0%
7.706181
1
0.0%
7.5942698
3
0.1%
7.5890884000000005
8
0.3%
7.457277799999999
1
0.0%
7.295710099999999
1
0.0%
7.0908303
3
0.1%
6.9587984
1
0.0%
6.899546099999999
1
0.0%
6.8670368
1
0.0%
6.5668182
1
0.0%
6.466958999999999
1
0.0%
6.465991000000001
4
0.1%
6.4515085
2
0.1%
h_logS
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
logS
0.90
a_hyd
-0.84
chi1_C
-0.82
VAdjMa
-0.81
VDistMa
-0.80
h_logP
-0.80
a_nC
-0.80
SlogP
-0.78
chi0_C
-0.78
SMR
-0.77
VAdjEq
0.77
zagreb
-0.77
mr
-0.77
b_heavy
-0.77

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.72
opr_nring
0.71
opr_violation
0.60
ast_violation
0.58
lip_violation
0.56
ast_violation_ext
0.52
opr_leadlike
0.52
lip_druglike
0.43
ast_fraglike
0.42
ast_fraglike_ext
0.30
lip_don
0.26
a_don
0.25
b_double
0.23
a_base
0.22
MOST FREQUENT VALUES
-4.7740369000000005
25
0.8%
-4.612377599999999
22
0.7%
-3.6555531
14
0.5%
-6.5880423
10
0.3%
-4.6185489
10
0.3%
-5.2184362
10
0.3%
-4.651545
10
0.3%
-3.5504897000000004
10
0.3%
-5.8854728
9
0.3%
-4.557291
9
0.3%
-3.2453925999999997
9
0.3%
-4.2595749000000005
9
0.3%
-5.3591676
9
0.3%
-6.0448417999999995
9
0.3%
-3.0541964
9
0.3%
SMALLEST VALUES
-10.684845
1
0.0%
-9.949986500000001
3
0.1%
-9.7934628
1
0.0%
-9.7281322
2
0.1%
-9.714153300000001
1
0.0%
-9.3980598
1
0.0%
-9.209945699999999
2
0.1%
-9.1876202
2
0.1%
-9.068846699999998
1
0.0%
-8.912844699999999
1
0.0%
-8.7280464
8
0.3%
-8.5905819
1
0.0%
-8.5824299
1
0.0%
-8.5738459
1
0.0%
-8.397898699999999
1
0.0%
LARGEST VALUES
4.7778049000000005
1
0.0%
3.0123862999999997
1
0.0%
2.784023
1
0.0%
2.4538651000000002
1
0.0%
0.46417734
1
0.0%
-0.11617421
5
0.2%
-0.69457841
4
0.1%
-0.88787127
1
0.0%
-1.0223540999999998
4
0.1%
-1.2495258999999999
2
0.1%
-1.3612628
7
0.2%
-1.3908858999999998
2
0.1%
-1.4874143999999998
3
0.1%
-1.5236098999999999
3
0.1%
-1.6143905
1
0.0%
h_log_dbo
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
GCUT_SLOGP_1
-0.39
PEOE_VSA-4
0.38
SlogP_VSA1
0.35
SMR_VSA0
0.29
a_ICM
0.29
vsa_acc
0.28
PEOE_VSA-6
0.26
h_pKa
-0.26
PEOE_VSA_FPNEG
0.26
density
0.24
BCUT_SLOGP_3
-0.22
PEOE_VSA+6
0.21
BCUT_SMR_0
0.20
PEOE_VSA_NEG
0.20

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nS
0.64
ast_violation_ext
0.16
chiral_u
0.15
ast_violation
0.13
b_double
0.12
opr_nring
0.12
Protein_descriptors_HDAC11
0.12
crossterm_pr_pr10
0.12
crossterm_pr_pr19
0.12
crossterm_pr_pr27
0.12
crossterm_pr_pr34
0.12
crossterm_pr_pr40
0.12
crossterm_pr_pr45
0.12
crossterm_pr_pr49
0.12
MOST FREQUENT VALUES
0.0
2,814
94.3%
1.4262761999999998
12
0.4%
1.3513044
6
0.2%
1.3510201000000002
6
0.2%
1.335799
6
0.2%
1.3561784
5
0.2%
1.4284054
5
0.2%
1.3492546
4
0.1%
1.4291953000000002
4
0.1%
1.4237038999999998
4
0.1%
1.3751656
3
0.1%
1.3543885
3
0.1%
1.3551915
3
0.1%
1.4275316
3
0.1%
1.354476
3
0.1%
SMALLEST VALUES
0.0
2,814
94.3%
0.66763997
1
0.0%
1.335799
6
0.2%
1.3430716
3
0.1%
1.3439193999999999
2
0.1%
1.3491093
2
0.1%
1.3492546
4
0.1%
1.3497257
2
0.1%
1.3497552
1
0.0%
1.3510201000000002
6
0.2%
1.3510337
1
0.0%
1.3510661
1
0.0%
1.3513044
6
0.2%
1.3514456
2
0.1%
1.3518814
1
0.0%
LARGEST VALUES
1.4422495000000002
2
0.1%
1.4416212
1
0.0%
1.4405700000000001
1
0.0%
1.4312083
1
0.0%
1.4309969999999999
1
0.0%
1.4301641
1
0.0%
1.4297705
2
0.1%
1.4294118999999998
1
0.0%
1.4293268
1
0.0%
1.4292258999999998
1
0.0%
1.4291953000000002
4
0.1%
1.4291443000000001
1
0.0%
1.4290133
2
0.1%
1.428978
2
0.1%
1.4289708
1
0.0%
h_log_pbo
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_aro
0.90
b_ar
0.89
SlogP_VSA7
0.78
h_logS
-0.77
VAdjMa
0.68
opr_brigid
0.67
balabanJ
-0.67
logS
-0.65
VDistMa
0.65
VAdjEq
-0.62
b_heavy
0.62
SMR_VSA5
0.61
zagreb
0.61
chi1_C
0.61

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.71
rings
0.69
ast_violation
0.49
opr_violation
0.48
ast_violation_ext
0.46
lip_violation
0.45
opr_leadlike
0.41
lip_druglike
0.37
ast_fraglike
0.33
lip_don
0.31
a_don
0.31
b_double
0.28
ast_fraglike_ext
0.24
crossterm_pr_pr55
0.16
MOST FREQUENT VALUES
9.6712484
25
0.8%
8.7762756
22
0.7%
5.116951
17
0.6%
6.7623372
16
0.5%
7.101719900000001
14
0.5%
10.021137
14
0.5%
11.182731
12
0.4%
5.382881200000001
11
0.4%
5.2486038
11
0.4%
10.299849
10
0.3%
8.1122828
10
0.3%
9.260062199999998
10
0.3%
15.307981
10
0.3%
9.583926199999999
10
0.3%
5.3475437
10
0.3%
SMALLEST VALUES
1.063416
5
0.2%
1.063417
7
0.2%
1.0634198000000001
1
0.0%
1.0634211999999998
1
0.0%
1.0634252
1
0.0%
1.0634253999999999
1
0.0%
1.063439
1
0.0%
1.9613311999999998
4
0.1%
1.9613355
4
0.1%
2.0771332
1
0.0%
2.3551812
5
0.2%
2.6660306
2
0.1%
2.6660314
1
0.0%
3.090467
1
0.0%
3.0904857999999997
1
0.0%
LARGEST VALUES
22.34763
3
0.1%
22.347628
1
0.0%
21.086214000000002
1
0.0%
19.728992
1
0.0%
19.728884
3
0.1%
17.875954
1
0.0%
17.86841
4
0.1%
17.232295999999998
1
0.0%
17.13039
2
0.1%
16.961451
1
0.0%
16.416122
1
0.0%
16.374029
3
0.1%
16.374026999999998
2
0.1%
16.374025
2
0.1%
16.311235
1
0.0%
h_mr
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
mr
1.00
vdw_vol
1.00
SMR
1.00
chi1
0.99
a_heavy
0.99
chi0v
0.99
chi0
0.99
apol
0.99
b_heavy
0.99
Weight
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98
vdw_area
0.98
chi1v
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.78
lip_violation
0.74
a_don
0.66
ast_violation_ext
0.64
ast_violation
0.64
lip_don
0.64
opr_leadlike
0.64
lip_druglike
0.63
rings
0.62
opr_nring
0.53
b_double
0.48
ast_fraglike
0.39
ast_fraglike_ext
0.31
reactive
0.27
MOST FREQUENT VALUES
12.534514
25
0.8%
12.584176
22
0.7%
8.693447099999998
14
0.5%
11.117733
12
0.4%
10.160731
11
0.4%
11.151857000000001
10
0.3%
7.7825226999999995
10
0.3%
10.025023
10
0.3%
13.038708
10
0.3%
14.280132
10
0.3%
11.302726
9
0.3%
9.920409199999998
9
0.3%
8.954169300000002
9
0.3%
8.0736446
9
0.3%
11.879661
9
0.3%
SMALLEST VALUES
1.743682
1
0.0%
2.6524528999999997
5
0.2%
3.3421277999999996
4
0.1%
3.5236876000000006
1
0.0%
3.7965128
4
0.1%
3.9780714999999995
1
0.0%
4.2022209
2
0.1%
4.4324565
1
0.0%
4.4699955000000005
7
0.2%
4.6371765
2
0.1%
4.656596700000001
3
0.1%
5.110979599999999
6
0.2%
5.2120485
7
0.2%
5.2983103
3
0.1%
5.474010900000001
1
0.0%
LARGEST VALUES
42.005714000000005
2
0.1%
41.551327
1
0.0%
41.096942999999996
1
0.0%
28.891353999999996
1
0.0%
28.666009999999996
1
0.0%
28.436968
1
0.0%
28.211624
2
0.1%
27.982582
2
0.1%
27.757238
2
0.1%
27.528196
1
0.0%
27.302853000000002
1
0.0%
27.073811
2
0.1%
26.975006
2
0.1%
26.313213
1
0.0%
25.858828
1
0.0%
h_pavgQ
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_pKb
-0.66
PEOE_VSA+1
0.55
h_pKa
0.54
SMR_VSA6
0.47
h_pstates
0.47
h_logD
-0.46
a_nH
0.41
GCUT_PEOE_0
-0.40
weinerPath
0.39
vsa_hyd
0.38
b_single
0.38
h_pstrain
0.38
PEOE_VSA_HYD
0.37
bpol
0.37

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.45
a_don
0.45
b_double
0.43
ast_violation_ext
0.25
opr_nring
0.21
rings
0.20
crossterm_pr_pr55
0.19
Protein_descriptors_HDAC11
0.19
crossterm_pr_pr10
0.19
crossterm_pr_pr19
0.19
crossterm_pr_pr27
0.19
crossterm_pr_pr34
0.19
crossterm_pr_pr40
0.19
crossterm_pr_pr45
0.19
MOST FREQUENT VALUES
-0.015817875
29
1.0%
-0.015849512
25
0.8%
-0.015848739
22
0.7%
-0.01594213
15
0.5%
-0.057903635999999994
14
0.5%
-0.015818495
11
0.4%
-0.30412105
10
0.3%
-0.015847879
10
0.3%
-0.015801961
10
0.3%
-0.012083683000000001
10
0.3%
0.80434346
10
0.3%
-0.16093312
10
0.3%
-0.015889015
10
0.3%
-0.11275972
9
0.3%
-0.015597898
9
0.3%
SMALLEST VALUES
-1.5999018
1
0.0%
-1.0203062
1
0.0%
-1.0177606
1
0.0%
-1.0172366
1
0.0%
-1.0096924999999999
1
0.0%
-1.0091705
3
0.1%
-1.0089852
1
0.0%
-1.0083669
3
0.1%
-1.0083547
1
0.0%
-1.008351
3
0.1%
-1.0017059000000001
1
0.0%
-0.98558563
1
0.0%
-0.9837754999999999
1
0.0%
-0.9825666
1
0.0%
-0.97679949
2
0.1%
LARGEST VALUES
4.9804583
2
0.1%
4.9804254
1
0.0%
4.9803185
1
0.0%
1.9752854
1
0.0%
1.8626758
1
0.0%
1.8446908
2
0.1%
1.8445513
2
0.1%
1.8228540000000002
2
0.1%
1.8227456000000002
2
0.1%
1.8227407
1
0.0%
1.8227308
2
0.1%
1.8226963
2
0.1%
1.8225825
1
0.0%
1.7532696
1
0.0%
1.6899203
3
0.1%
h_pKa
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_pavgQ
0.54
GCUT_SMR_0
-0.46
BCUT_SMR_0
-0.43
BCUT_SLOGP_3
0.42
b_max1len
0.41
BCUT_PEOE_0
-0.40
BCUT_PEOE_3
0.39
PEOE_VSA+6
-0.37
SlogP_VSA8
0.36
BCUT_SMR_1
0.35
BCUT_SLOGP_1
0.34
BCUT_SMR_3
0.33
BCUT_PEOE_1
0.32
BCUT_PEOE_2
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.39
lip_don
0.38
b_double
0.27
a_nS
0.14
opr_nring
0.13
ast_violation
0.13
rings
0.12
ast_violation_ext
0.11
opr_violation
0.09
a_nF
0.09
lip_violation
0.08
ast_fraglike_ext
0.07
a_nCl
0.07
reactive
0.07
MOST FREQUENT VALUES
8.793927199999999
38
1.3%
8.793046
25
0.8%
8.793067
22
0.7%
8.7904739
15
0.5%
8.793911900000001
15
0.5%
8.211389500000001
14
0.5%
8.793911
12
0.4%
8.7938881
12
0.4%
8.793954800000002
12
0.4%
8.79391
11
0.4%
7.3765106
10
0.3%
9.2085228
10
0.3%
8.726388900000002
10
0.3%
8.7919474
10
0.3%
8.793090800000002
10
0.3%
SMALLEST VALUES
4.6893454000000006
1
0.0%
4.6901793
3
0.1%
4.6901950999999995
1
0.0%
4.6902008
3
0.1%
4.8265867
3
0.1%
5.610849900000001
2
0.1%
5.711496400000001
1
0.0%
5.7132998
1
0.0%
5.7250891
1
0.0%
5.7286296
1
0.0%
5.7401953
1
0.0%
5.7749667
2
0.1%
5.8076692
1
0.0%
5.8222656
1
0.0%
5.822790599999999
1
0.0%
LARGEST VALUES
10.838519999999999
2
0.1%
10.838511
1
0.0%
10.838485
1
0.0%
10.112282
2
0.1%
10.037525
1
0.0%
10.017371
1
0.0%
10.014264
2
0.1%
9.9958286
1
0.0%
9.9907246
3
0.1%
9.8652067
1
0.0%
9.8418493
1
0.0%
9.7716856
1
0.0%
9.768437400000002
1
0.0%
9.7643356
1
0.0%
9.7493906
1
0.0%
h_pKb
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_pavgQ
-0.66
h_pstates
-0.56
PEOE_VSA+1
-0.44
a_nN
-0.36
PEOE_VSA_FHYD
-0.34
PEOE_VSA_FPOL
0.34
PEOE_VSA_FPPOS
0.32
SMR_VSA6
-0.30
h_pstrain
-0.29
GCUT_PEOE_0
0.29
PEOE_VSA_FPNEG
0.28
SMR_VSA1
-0.27
PEOE_VSA_HYD
-0.27
PEOE_VSA+2
-0.27

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.37
rings
0.34
ast_violation_ext
0.28
ast_violation
0.27
crossterm_pr_pr55
0.24
Protein_descriptors_HDAC11
0.24
crossterm_pr_pr10
0.24
crossterm_pr_pr19
0.24
crossterm_pr_pr27
0.24
crossterm_pr_pr34
0.24
crossterm_pr_pr40
0.24
crossterm_pr_pr45
0.24
crossterm_pr_pr49
0.24
crossterm_pr_pr52
0.24
MOST FREQUENT VALUES
14.0
1,301
43.6%
9.1945944
10
0.3%
6.3800683
10
0.3%
8.667876199999998
9
0.3%
10.659393
9
0.3%
6.3131242
9
0.3%
6.3098149
9
0.3%
8.4318008
9
0.3%
9.355592699999999
8
0.3%
6.683639
8
0.3%
9.367954300000001
7
0.2%
7.9759479
7
0.2%
9.3653603
7
0.2%
10.039799
6
0.2%
10.421055
6
0.2%
SMALLEST VALUES
3.5609632000000007
2
0.1%
3.5609752999999995
1
0.0%
3.5610149
1
0.0%
4.6105833
1
0.0%
4.6797733
1
0.0%
5.1429873
1
0.0%
5.1459364999999995
1
0.0%
5.1852722
1
0.0%
5.2297044
2
0.1%
5.2368488
2
0.1%
5.2556925
1
0.0%
5.2566385
1
0.0%
5.2822876
1
0.0%
5.2910748
1
0.0%
5.3037767
1
0.0%
LARGEST VALUES
16.488955999999998
4
0.1%
16.488705
6
0.2%
16.488703
4
0.1%
14.941664000000001
4
0.1%
14.827647
1
0.0%
14.407658999999999
1
0.0%
14.296073000000002
3
0.1%
14.0
1,301
43.6%
12.979919
3
0.1%
12.975802999999999
4
0.1%
12.975328999999999
3
0.1%
12.975185
5
0.2%
12.968262
5
0.2%
12.920114
2
0.1%
12.887938
1
0.0%
h_pstates
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_pKb
-0.56
h_pavgQ
0.47
PEOE_VSA+1
0.40
PEOE_VSA+5
-0.38
PEOE_VSA_FPPOS
-0.35
PEOE_VSA_FHYD
0.35
PEOE_VSA_FPOL
-0.35
SMR_VSA6
0.34
GCUT_SMR_1
0.34
h_pstrain
0.29
PEOE_VSA_FPNEG
-0.27
PEOE_VSA+6
0.26
GCUT_PEOE_0
-0.25
PEOE_VSA_PPOS
-0.25

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.31
opr_nring
0.30
rings
0.28
Protein_descriptors_HDAC11
0.27
crossterm_pr_pr10
0.27
crossterm_pr_pr19
0.27
crossterm_pr_pr27
0.27
crossterm_pr_pr34
0.27
crossterm_pr_pr40
0.27
crossterm_pr_pr45
0.27
crossterm_pr_pr49
0.27
crossterm_pr_pr52
0.27
crossterm_pr_pr54
0.27
crossterm_pr_pr55
0.27
MOST FREQUENT VALUES
1.0847079
35
1.2%
1.0848495
25
0.8%
1.084846
22
0.7%
1.0847106000000002
17
0.6%
1.0847103999999999
16
0.5%
1.0852638000000001
15
0.5%
1.2478741000000002
14
0.5%
1.0848421999999998
10
0.3%
1.0846366000000003
10
0.3%
1.5561193000000002
10
0.3%
1.1405648000000002
10
0.3%
2.3531635
10
0.3%
1.6910523999999998
10
0.3%
1.0845751000000001
10
0.3%
1.0850263
10
0.3%
SMALLEST VALUES
1.047358
1
0.0%
1.0738273
1
0.0%
1.0841056999999998
5
0.2%
1.0842450000000001
1
0.0%
1.0845599
7
0.2%
1.0845751000000001
10
0.3%
1.0845786
4
0.1%
1.0845798
1
0.0%
1.0845803
1
0.0%
1.0846063
1
0.0%
1.0846083
1
0.0%
1.0846103
2
0.1%
1.0846105
1
0.0%
1.0846121000000002
1
0.0%
1.0846124
7
0.2%
LARGEST VALUES
6.1840386
2
0.1%
6.1748095
2
0.1%
6.1720114
2
0.1%
6.1711683
1
0.0%
5.7337346
1
0.0%
5.663715799999999
1
0.0%
5.6187792000000005
1
0.0%
5.611712000000001
1
0.0%
5.5996938
1
0.0%
5.5949497
1
0.0%
5.5860634000000005
1
0.0%
5.574585900000001
1
0.0%
5.556525700000001
1
0.0%
5.3571801
2
0.1%
5.0180407
1
0.0%
h_pstrain
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_pavgQ
0.38
h_logD
-0.30
h_pKb
-0.29
h_pstates
0.29
weinerPath
0.26
SMR_VSA6
0.24
PEOE_VSA+1
0.21
PEOE_VSA-2
0.21
a_nN
0.19
SlogP_VSA0
0.19
h_ema
0.18
b_single
0.18
a_nH
0.18
SlogP_VSA3
0.17

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.47
lip_don
0.34
a_don
0.34
reactive
0.16
crossterm_pr_pr55
0.13
Protein_descriptors_HDAC11
0.13
crossterm_pr_pr10
0.13
crossterm_pr_pr19
0.13
crossterm_pr_pr27
0.13
crossterm_pr_pr34
0.13
crossterm_pr_pr40
0.13
crossterm_pr_pr45
0.13
crossterm_pr_pr49
0.13
crossterm_pr_pr52
0.13
MOST FREQUENT VALUES
0.009506636
29
1.0%
0.009525796999999999
25
0.8%
0.009525329
22
0.7%
0.009581895
15
0.5%
0.035575271
14
0.5%
0.009507013
11
0.4%
0.014870741000000002
10
0.3%
0.009524807
10
0.3%
0.009496998000000001
10
0.3%
0.009549723000000001
10
0.3%
0.10467526
10
0.3%
3.1234702999999997
10
0.3%
0.21203379
10
0.3%
0.12065712
9
0.3%
0.00963646
9
0.3%
SMALLEST VALUES
0.004152288
1
0.0%
0.006420909
1
0.0%
0.009425264000000001
5
0.2%
0.009444151999999999
1
0.0%
0.009451663
3
0.1%
0.009465065
6
0.2%
0.009465071
4
0.1%
0.009465528
4
0.1%
0.009486549
7
0.2%
0.009489319
1
0.0%
0.009489388
1
0.0%
0.009492903
1
0.0%
0.009493175999999999
1
0.0%
0.009493446
2
0.1%
0.009493469000000001
1
0.0%
LARGEST VALUES
57.697880000000005
1
0.0%
57.678996999999995
1
0.0%
57.67130699999999
1
0.0%
56.41639300000001
1
0.0%
36.230216999999996
1
0.0%
21.491463
1
0.0%
21.491395999999998
1
0.0%
21.491377
2
0.1%
10.903523
1
0.0%
8.5542135
2
0.1%
7.950149499999999
2
0.1%
6.8278517999999995
1
0.0%
6.773872900000001
1
0.0%
6.7332463
1
0.0%
6.3120708
1
0.0%
Kier1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi0
0.99
Q_VSA_HYD
0.99
Q_VSA_POS
0.99
vdw_area
0.99
a_IC
0.98
a_heavy
0.98
chi0v
0.98
Weight
0.98
vdw_vol
0.98
chi1
0.98
h_mr
0.98
mr
0.98
apol
0.98
KierA1
0.97

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.78
lip_violation
0.74
a_don
0.71
lip_don
0.70
ast_violation_ext
0.65
opr_leadlike
0.64
lip_druglike
0.64
ast_violation
0.62
b_double
0.54
rings
0.49
opr_nring
0.40
ast_fraglike
0.36
reactive
0.29
ast_fraglike_ext
0.29
MOST FREQUENT VALUES
25.619835000000002
105
3.5%
20.727041
104
3.5%
21.702734
103
3.5%
24.638672
99
3.3%
22.29081
94
3.2%
21.301775
93
3.1%
23.658689000000003
92
3.1%
22.68
78
2.6%
18.781064999999998
73
2.4%
26.602076
72
2.4%
27.585306
71
2.4%
20.313601000000002
68
2.3%
19.326389000000002
68
2.3%
23.280613
65
2.2%
18.340265
64
2.1%
SMALLEST VALUES
5.0
1
0.0%
7.0
5
0.2%
7.111111200000001
4
0.1%
8.1000004
4
0.1%
9.0
1
0.0%
9.090909
2
0.1%
10.0
1
0.0%
10.083333
5
0.2%
11.0
8
0.3%
11.076922999999999
6
0.2%
11.484375
2
0.1%
12.055402
1
0.0%
12.071428
4
0.1%
12.456747
9
0.3%
13.005
5
0.2%
LARGEST VALUES
102.35022
2
0.1%
101.35332
1
0.0%
100.35647
1
0.0%
66.796875
1
0.0%
65.806763
2
0.1%
64.816895
4
0.1%
63.827290000000005
3
0.1%
63.531776
2
0.1%
62.837952
3
0.1%
58.264427000000005
1
0.0%
57.28129200000001
1
0.0%
56.298611
2
0.1%
55.595043000000004
2
0.1%
55.31640600000001
2
0.1%
54.604023
3
0.1%
Kier2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
KierA2
0.97
Kier1
0.94
Kier3
0.94
KierA3
0.93
Q_VSA_HYD
0.93
Q_VSA_POS
0.93
vdw_area
0.93
opr_nrot
0.92
a_IC
0.91
KierFlex
0.91
chi0
0.90
KierA1
0.90
a_count
0.90
h_mr
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.75
opr_violation
0.74
lip_don
0.74
lip_violation
0.66
ast_violation_ext
0.65
opr_leadlike
0.61
b_double
0.60
ast_violation
0.59
lip_druglike
0.58
ast_fraglike
0.33
rings
0.32
crossterm_pr_pr55
0.30
Protein_descriptors_HDAC11
0.30
crossterm_pr_pr10
0.30
MOST FREQUENT VALUES
10.518627
63
2.1%
9.9881096
53
1.8%
15.186172000000001
50
1.7%
10.543388
49
1.6%
14.235294
43
1.4%
12.888889
43
1.4%
13.032024
42
1.4%
13.645214000000001
40
1.3%
11.4075
39
1.3%
11.658402
37
1.2%
10.871094
36
1.2%
11.111111
36
1.2%
10.683761
35
1.2%
11.253463
35
1.2%
14.411157000000001
35
1.2%
SMALLEST VALUES
2.25
1
0.0%
3.2396693
4
0.1%
4.0
4
0.1%
4.1666665
5
0.2%
4.7928996
2
0.1%
4.888429599999999
1
0.0%
4.9382715
1
0.0%
5.1041665
6
0.2%
5.1747917999999995
1
0.0%
5.3254437
5
0.2%
5.3650794
1
0.0%
5.5510206
6
0.2%
5.5576558
2
0.1%
5.612245099999999
5
0.2%
5.7600002
2
0.1%
LARGEST VALUES
60.469727
2
0.1%
59.63020699999999
1
0.0%
58.792706
1
0.0%
30.5217
1
0.0%
29.818224
2
0.1%
29.119114
4
0.1%
28.572531
2
0.1%
28.424465
3
0.1%
27.734375
3
0.1%
26.661891999999998
1
0.0%
26.090279000000002
1
0.0%
25.974724
1
0.0%
25.562548
2
0.1%
25.292517
2
0.1%
25.056938
2
0.1%
Kier3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
KierA3
0.98
Kier2
0.94
KierA2
0.92
b_rotN
0.89
KierFlex
0.89
opr_nrot
0.88
b_1rotN
0.88
Kier1
0.82
h_emd
0.81
diameter
0.80
Q_VSA_HYD
0.79
Q_VSA_POS
0.79
vdw_area
0.79
radius
0.79

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.74
lip_don
0.73
opr_violation
0.63
b_double
0.61
ast_violation_ext
0.59
lip_violation
0.53
opr_leadlike
0.52
ast_violation
0.50
lip_druglike
0.47
crossterm_pr_pr55
0.34
Protein_descriptors_HDAC11
0.34
crossterm_pr_pr10
0.34
crossterm_pr_pr19
0.34
crossterm_pr_pr27
0.34
MOST FREQUENT VALUES
9.5206614
49
1.6%
8.065843600000001
31
1.0%
6.8429750999999985
27
0.9%
6.2040815
25
0.8%
5.2577777
25
0.8%
6.328125
23
0.8%
8.467200300000002
22
0.7%
7.6370807
22
0.7%
5.0237813
22
0.7%
7.492195599999999
22
0.7%
6.542222
21
0.7%
6.5743941999999995
21
0.7%
8.1384087
21
0.7%
6.4910836
20
0.7%
10.00378
20
0.7%
SMALLEST VALUES
1.7041419999999998
4
0.1%
1.96
1
0.0%
2.0767982
1
0.0%
2.0978147999999996
1
0.0%
2.2041522999999996
4
0.1%
2.2755556
1
0.0%
2.2843544
1
0.0%
2.2857144
4
0.1%
2.2907231
4
0.1%
2.3397612999999997
2
0.1%
2.3649557
1
0.0%
2.3801653
3
0.1%
2.4000001
4
0.1%
2.4197531000000003
1
0.0%
2.4444444
1
0.0%
LARGEST VALUES
42.681442
2
0.1%
41.989204
1
0.0%
41.307377
1
0.0%
17.752604
1
0.0%
17.532038
1
0.0%
17.5
2
0.1%
17.290266
2
0.1%
17.267029
2
0.1%
17.049601000000003
1
0.0%
16.787189
1
0.0%
16.780023999999997
2
0.1%
16.578712
2
0.1%
16.304976999999997
1
0.0%
16.106647
1
0.0%
16.044445
1
0.0%
KierA1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_IC
0.98
chi0v
0.98
Kier1
0.97
Q_VSA_HYD
0.97
Q_VSA_POS
0.97
vdw_area
0.97
a_count
0.97
chi1v
0.97
Weight
0.97
bpol
0.97
apol
0.96
chi0
0.96
b_count
0.96
KierA2
0.95

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.75
lip_violation
0.71
a_don
0.70
lip_don
0.68
ast_violation_ext
0.62
opr_leadlike
0.61
lip_druglike
0.61
ast_violation
0.59
b_double
0.49
rings
0.44
ast_fraglike
0.33
reactive
0.33
opr_nring
0.33
ast_fraglike_ext
0.27
MOST FREQUENT VALUES
14.661879
29
1.0%
21.105732
25
0.8%
17.281385
24
0.8%
21.667448
22
0.7%
15.488
18
0.6%
18.193653
17
0.6%
18.990786
17
0.6%
15.491532999999999
17
0.6%
22.630959
17
0.6%
15.567142
15
0.5%
14.368360999999998
14
0.5%
15.111926
14
0.5%
17.313264999999998
14
0.5%
14.875492000000001
14
0.5%
16.452923000000002
14
0.5%
SMALLEST VALUES
3.5279922
1
0.0%
5.3962159000000005
4
0.1%
5.5470357
5
0.2%
6.169292400000001
2
0.1%
6.340021599999999
4
0.1%
6.560627900000001
2
0.1%
7.096679700000001
3
0.1%
7.5571671
1
0.0%
7.582952499999999
1
0.0%
7.869187400000001
1
0.0%
8.0346708
6
0.2%
8.0929604
1
0.0%
8.131647099999999
1
0.0%
8.2237921
1
0.0%
8.4129133
3
0.1%
LARGEST VALUES
79.334564
2
0.1%
78.369186
1
0.0%
77.404411
1
0.0%
60.06685600000001
1
0.0%
59.835196999999994
1
0.0%
59.090477
1
0.0%
58.85751
2
0.1%
58.213280000000005
2
0.1%
58.114681000000004
2
0.1%
57.880379000000005
2
0.1%
57.139495999999994
1
0.0%
56.903835
1
0.0%
56.16494
2
0.1%
50.015667
1
0.0%
49.05743
1
0.0%
KierA2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
KierFlex
0.98
Kier2
0.97
opr_nrot
0.95
KierA1
0.95
KierA3
0.95
Kier1
0.94
a_IC
0.94
Q_VSA_HYD
0.93
Q_VSA_POS
0.93
vdw_area
0.93
a_count
0.92
bpol
0.92
Kier3
0.92
chi0v
0.91

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.73
opr_violation
0.73
lip_don
0.72
lip_violation
0.65
ast_violation_ext
0.64
opr_leadlike
0.60
ast_violation
0.58
lip_druglike
0.57
b_double
0.56
ast_fraglike
0.32
rings
0.30
crossterm_pr_pr55
0.29
Protein_descriptors_HDAC11
0.29
crossterm_pr_pr10
0.29
MOST FREQUENT VALUES
11.515471
25
0.8%
11.832778
22
0.7%
9.3609581
20
0.7%
7.741744000000001
18
0.6%
10.167323
17
0.6%
12.027053
17
0.6%
7.035950200000001
14
0.5%
10.031825
14
0.5%
6.838139999999999
13
0.4%
10.348699
13
0.4%
7.9751906
13
0.4%
6.9535584
12
0.4%
7.229013
12
0.4%
7.9256186
11
0.4%
5.657197
11
0.4%
SMALLEST VALUES
1.4121985000000001
1
0.0%
2.3620231
4
0.1%
3.0353713
4
0.1%
3.1097447999999996
2
0.1%
3.1522384
5
0.2%
3.2236571
1
0.0%
3.4252116999999997
1
0.0%
3.4900007000000004
2
0.1%
3.5560205000000003
1
0.0%
3.6034296
1
0.0%
3.6369769999999995
1
0.0%
3.6696332000000003
1
0.0%
3.7264779000000003
3
0.1%
3.8026817000000004
1
0.0%
3.8085937999999993
3
0.1%
LARGEST VALUES
46.756865999999995
2
0.1%
45.992466
1
0.0%
45.230915
1
0.0%
27.406633000000003
1
0.0%
27.076679
1
0.0%
26.734951000000002
1
0.0%
26.406031
2
0.1%
26.147125
2
0.1%
26.068026
2
0.1%
25.740194
2
0.1%
25.40596
1
0.0%
25.079273
1
0.0%
24.748852
2
0.1%
22.834051000000002
1
0.0%
22.542818
2
0.1%
KierA3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Kier3
0.98
KierFlex
0.95
KierA2
0.95
Kier2
0.93
opr_nrot
0.92
b_rotN
0.88
b_1rotN
0.87
KierA1
0.85
Kier1
0.83
a_IC
0.82
Q_VSA_HYD
0.82
Q_VSA_POS
0.82
vdw_area
0.82
bpol
0.82

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.73
lip_don
0.73
opr_violation
0.63
ast_violation_ext
0.59
b_double
0.58
lip_violation
0.54
opr_leadlike
0.52
ast_violation
0.50
lip_druglike
0.47
crossterm_pr_pr55
0.32
Protein_descriptors_HDAC11
0.32
crossterm_pr_pr10
0.32
crossterm_pr_pr19
0.32
crossterm_pr_pr27
0.32
MOST FREQUENT VALUES
7.1724281
25
0.8%
7.375
22
0.7%
4.7164388
15
0.5%
6.9450083
14
0.5%
4.854361099999999
14
0.5%
4.4041748
12
0.4%
3.3337817000000003
11
0.4%
5.8050499
11
0.4%
3.3432519
10
0.3%
3.5102062000000007
10
0.3%
6.1378164
10
0.3%
4.607725599999999
10
0.3%
4.8063493
10
0.3%
7.9165015
9
0.3%
4.262521700000001
9
0.3%
SMALLEST VALUES
1.1947277
4
0.1%
1.2510214
1
0.0%
1.5281203
1
0.0%
1.5332173
1
0.0%
1.5391208
1
0.0%
1.5542108000000001
3
0.1%
1.582023
3
0.1%
1.6289364
1
0.0%
1.6523438000000001
1
0.0%
1.6907535
4
0.1%
1.7001376
1
0.0%
1.7030273999999999
1
0.0%
1.7056080000000002
1
0.0%
1.7284503
1
0.0%
1.7328960999999998
1
0.0%
LARGEST VALUES
32.947624
2
0.1%
32.330639
1
0.0%
31.724037
1
0.0%
16.1057
1
0.0%
16.000294
2
0.1%
15.727093
1
0.0%
15.643749
2
0.1%
15.270829
1
0.0%
15.180736999999999
2
0.1%
14.826039000000002
2
0.1%
14.729612
1
0.0%
14.380464000000002
1
0.0%
14.239185
2
0.1%
14.169236999999999
2
0.1%
13.94648
2
0.1%
KierFlex
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
KierA2
0.98
KierA3
0.95
opr_nrot
0.94
KierA1
0.93
bpol
0.91
Kier2
0.91
b_single
0.90
a_IC
0.89
a_nH
0.89
Kier3
0.89
Kier1
0.88
a_count
0.88
Q_VSA_HYD
0.88
Q_VSA_POS
0.88

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.71
lip_don
0.70
opr_violation
0.66
lip_violation
0.60
ast_violation_ext
0.57
opr_leadlike
0.54
b_double
0.53
lip_druglike
0.51
ast_violation
0.50
reactive
0.29
Protein_descriptors_HDAC11
0.27
crossterm_pr_pr10
0.27
crossterm_pr_pr19
0.27
crossterm_pr_pr27
0.27
MOST FREQUENT VALUES
7.364922999999999
25
0.8%
7.7692761
22
0.7%
5.3923445
20
0.7%
4.3657122
18
0.6%
8.0054045
17
0.6%
6.0339203
17
0.6%
4.5952306
14
0.5%
5.8875980000000006
14
0.5%
5.021687
13
0.4%
5.8287377000000005
13
0.4%
3.6841437999999993
12
0.4%
4.1013241
12
0.4%
3.5668138999999996
12
0.4%
8.872698800000002
11
0.4%
5.1801490999999995
11
0.4%
SMALLEST VALUES
0.99644512
1
0.0%
1.4162207
4
0.1%
1.5346428
1
0.0%
1.7315478
1
0.0%
1.7440841
2
0.1%
1.8277484
1
0.0%
1.8523139
3
0.1%
1.9080496999999998
2
0.1%
1.9244322
4
0.1%
1.9247276000000002
3
0.1%
1.9418369999999998
1
0.0%
1.9513782
1
0.0%
2.0287478
1
0.0%
2.0382714
1
0.0%
2.054024
1
0.0%
LARGEST VALUES
33.722141
2
0.1%
33.067818
1
0.0%
32.417339
1
0.0%
21.660925
1
0.0%
21.601847
1
0.0%
21.438168
2
0.1%
21.063745
1
0.0%
21.002610999999998
2
0.1%
20.472095
2
0.1%
20.408935999999997
2
0.1%
19.886078
1
0.0%
19.820926999999998
1
0.0%
19.305803
2
0.1%
18.399105
2
0.1%
17.396675
2
0.1%
lip_acc
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
TPSA
0.97
h_ema
0.95
PEOE_PC-
-0.94
PEOE_PC+
0.94
a_donacc
0.94
a_acc
0.92
vsa_pol
0.91
h_emd
0.91
a_IC
0.89
Kier1
0.88
Weight
0.86
chi0
0.86
Kier2
0.86
KierA1
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.77
lip_don
0.76
opr_violation
0.71
lip_violation
0.69
ast_violation_ext
0.65
lip_druglike
0.63
opr_leadlike
0.58
b_double
0.58
ast_violation
0.56
rings
0.38
ast_fraglike
0.29
opr_nring
0.29
reactive
0.29
crossterm_pr_pr55
0.26
MOST FREQUENT VALUES
7
567
19.0%
6
530
17.8%
5
480
16.1%
8
475
15.9%
9
227
7.6%
4
184
6.2%
10
142
4.8%
3
114
3.8%
11
103
3.5%
12
65
2.2%
13
34
1.1%
17
17
0.6%
20
13
0.4%
16
11
0.4%
18
6
0.2%
SMALLEST VALUES
3
114
3.8%
4
184
6.2%
5
480
16.1%
6
530
17.8%
7
567
19.0%
8
475
15.9%
9
227
7.6%
10
142
4.8%
11
103
3.5%
12
65
2.2%
13
34
1.1%
14
4
0.1%
15
6
0.2%
16
11
0.4%
17
17
0.6%
LARGEST VALUES
39
4
0.1%
20
13
0.4%
19
2
0.1%
18
6
0.2%
17
17
0.6%
16
11
0.4%
15
6
0.2%
14
4
0.1%
13
34
1.1%
12
65
2.2%
11
103
3.5%
10
142
4.8%
9
227
7.6%
8
475
15.9%
7
567
19.0%
lip_don
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
2
1,105
37%
2.47
3
1,058
35%
2.31
4
547
18%
2.00
5
168
6%
2.14
7
44
1%
2.51
6
44
1%
2.54
9
8
0%
3.10
25
4
0%
3.09
8
4
0%
2.82
12
2
0%
1.84
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
lip_don
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON lip_don:
a_don
0.87
ast_violation_ext
0.31
ast_violation
0.24
opr_violation
0.16
lip_violation
0.12
opr_leadlike
0.09
b_double
0.09
lip_druglike
0.08
crossterm_pr_pr55
0.05
Protein_descriptors_HDAC11
0.05
crossterm_pr_pr10
0.05
crossterm_pr_pr19
0.05
crossterm_pr_pr27
0.05
crossterm_pr_pr34
0.05

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
CORRELATION RATIO WITH...
vsa_don
0.88
weinerPath
0.88
h_emd
0.86
SlogP_VSA0
0.85
TPSA
0.85
vsa_pol
0.85
a_donacc
0.84
PEOE_VSA_POL
0.77
lip_acc
0.76
b_rotN
0.74
Kier2
0.74
PEOE_VSA_PNEG
0.74
Kier3
0.73
PEOE_VSA_PPOS
0.73
lip_druglike
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
1
2,626
88%
2.31
0
358
12%
2.32
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
lip_druglike
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON lip_druglike:
lip_violation
1.00
opr_violation
0.65
opr_leadlike
0.47
a_don
0.32
lip_don
0.31
ast_violation_ext
0.24
rings
0.23
ast_violation
0.21
opr_nring
0.17
b_double
0.14
reactive
0.05
ast_fraglike
0.02
crossterm_pr_pr55
0.02
Protein_descriptors_HDAC11
0.02

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_druglike
CORRELATION RATIO WITH...
a_heavy
0.65
chi1
0.65
chi0
0.65
b_heavy
0.64
Weight
0.64
zagreb
0.64
Kier1
0.64
a_IC
0.64
h_mr
0.63
vdw_vol
0.63
lip_acc
0.63
chi0v
0.63
mr
0.63
SMR
0.62
lip_violation
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,341
78%
2.30
1
285
10%
2.42
2
231
8%
2.29
3
116
4%
2.39
4
11
0%
2.20
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
lip_violation
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
lip_druglike
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00

THESE FEATURES GIVE INFORMATION
ON lip_violation:
opr_violation
0.54
lip_druglike
0.48
opr_leadlike
0.33
a_don
0.21
lip_don
0.21
rings
0.18
ast_violation_ext
0.16
opr_nring
0.15
ast_violation
0.14
b_double
0.08
reactive
0.03
Protein_descriptors_HDAC11
0.02
crossterm_pr_pr10
0.02
crossterm_pr_pr19
0.02

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_violation
CORRELATION RATIO WITH...
a_heavy
0.75
chi0
0.75
b_heavy
0.75
chi1
0.75
Weight
0.75
zagreb
0.74
h_mr
0.74
Kier1
0.74
vdw_vol
0.74
chi0v
0.73
mr
0.73
a_IC
0.73
SMR
0.73
weinerPol
0.73
logP(o/w)
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_logP
0.86
SlogP
0.84
h_logD
0.73
logS
-0.71
h_logS
-0.68
chi1_C
0.58
a_hyd
0.56
PEOE_VSA_FPOL
-0.51
PEOE_VSA_FHYD
0.51
SlogP_VSA7
0.49
chi1v_C
0.48
vsa_hyd
0.47
GCUT_SLOGP_3
0.47
b_ar
0.46

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.43
opr_nring
0.42
lip_violation
0.34
opr_violation
0.33
b_double
0.33
lip_don
0.32
a_don
0.29
ast_violation_ext
0.27
ast_violation
0.26
opr_leadlike
0.21
a_nS
0.19
ast_fraglike
0.19
a_nF
0.14
a_nCl
0.14
MOST FREQUENT VALUES
3.951
25
0.8%
4.065000100000001
25
0.8%
2.773
15
0.5%
2.164
14
0.5%
1.841
10
0.3%
3.8870001000000003
10
0.3%
3.464
10
0.3%
4.895
10
0.3%
3.1319999999999997
10
0.3%
2.7625300999999998
10
0.3%
4.4850001
10
0.3%
3.1619999
9
0.3%
3.0599998999999998
9
0.3%
3.023
9
0.3%
1.329
9
0.3%
SMALLEST VALUES
-4.9910002
1
0.0%
-4.5489998
1
0.0%
-4.1069999
2
0.1%
-1.99447
1
0.0%
-1.7280000000000002
3
0.1%
-1.2790000000000001
2
0.1%
-0.83547002
1
0.0%
-0.82800001
1
0.0%
-0.80400002
1
0.0%
-0.792
1
0.0%
-0.75800002
1
0.0%
-0.74000001
1
0.0%
-0.66847003
3
0.1%
-0.66494
1
0.0%
-0.40700001
2
0.1%
LARGEST VALUES
8.612999900000002
1
0.0%
8.411000300000001
1
0.0%
8.170999499999999
1
0.0%
7.955999900000001
1
0.0%
7.9120002000000005
1
0.0%
7.606999900000001
3
0.1%
7.513999900000001
1
0.0%
7.2870002000000005
1
0.0%
7.181000200000001
1
0.0%
7.165
1
0.0%
7.149000200000001
2
0.1%
7.020999900000001
2
0.1%
6.986000099999999
4
0.1%
6.948999900000001
1
0.0%
6.9120002000000005
1
0.0%
logS
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_logS
0.90
h_logP
-0.77
SlogP
-0.76
chi1_C
-0.73
a_hyd
-0.73
logP(o/w)
-0.71
VAdjMa
-0.71
a_nC
-0.70
VDistMa
-0.70
VAdjEq
0.68
chi0_C
-0.67
SMR
-0.67
chi1v_C
-0.67
mr
-0.67

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.62
opr_violation
0.60
opr_nring
0.59
lip_violation
0.55
ast_violation
0.54
opr_leadlike
0.52
ast_violation_ext
0.52
lip_druglike
0.40
ast_fraglike
0.35
lip_don
0.27
a_don
0.26
ast_fraglike_ext
0.25
a_nCl
0.24
b_double
0.21
MOST FREQUENT VALUES
-5.3108902
25
0.8%
-5.0683098
22
0.7%
-4.93609
20
0.7%
-5.1751099
17
0.6%
-5.7679801
17
0.6%
-4.46457
16
0.5%
-3.4383299
14
0.5%
-4.8801298
14
0.5%
-6.10671
13
0.4%
-5.1585598
12
0.4%
-5.3534698
10
0.3%
-4.81738
10
0.3%
-4.4229698
10
0.3%
-4.0265198
10
0.3%
-7.02911
10
0.3%
SMALLEST VALUES
-11.09201
1
0.0%
-10.324060000000001
8
0.3%
-10.04702
3
0.1%
-9.9490299
1
0.0%
-9.9181404
1
0.0%
-9.9012604
5
0.2%
-9.7247696
3
0.1%
-9.6767302
1
0.0%
-9.6216297
2
0.1%
-9.522999800000001
1
0.0%
-9.359029800000002
1
0.0%
-9.344579699999999
1
0.0%
-8.915080099999999
1
0.0%
-8.9143
2
0.1%
-8.6484003
2
0.1%
LARGEST VALUES
0.37507999
1
0.0%
0.32014999
1
0.0%
0.22899
1
0.0%
0.17331
1
0.0%
-0.34191
1
0.0%
-0.39684001
5
0.2%
-0.92925
4
0.1%
-1.21155
1
0.0%
-1.2635100000000001
3
0.1%
-1.31572
1
0.0%
-1.38378
3
0.1%
-1.4444700000000001
4
0.1%
-1.48376
1
0.0%
-1.50186
2
0.1%
-1.51019
1
0.0%
mr
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_mr
1.00
vdw_vol
1.00
SMR
1.00
chi1
0.99
a_heavy
0.99
chi0v
0.99
apol
0.99
chi0
0.99
b_heavy
0.99
Weight
0.98
chi1v
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98
vdw_area
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.78
lip_violation
0.73
a_don
0.65
ast_violation
0.64
ast_violation_ext
0.64
opr_leadlike
0.64
lip_don
0.63
lip_druglike
0.63
rings
0.62
opr_nring
0.53
b_double
0.47
ast_fraglike
0.39
ast_fraglike_ext
0.31
reactive
0.27
MOST FREQUENT VALUES
12.578246
25
0.8%
12.623897999999999
22
0.7%
10.400191
14
0.5%
8.717932699999999
14
0.5%
10.970097
12
0.4%
11.56634
11
0.4%
7.8178463
10
0.3%
13.99081
10
0.3%
12.804005
10
0.3%
10.098999000000001
10
0.3%
11.203259
10
0.3%
8.9333963
9
0.3%
10.486673
9
0.3%
9.3784533
9
0.3%
12.117343
9
0.3%
SMALLEST VALUES
1.7136447
1
0.0%
2.6743731
5
0.2%
3.3667881
4
0.1%
3.4749475
1
0.0%
3.8378388999999995
4
0.1%
3.9472029
1
0.0%
4.266458
2
0.1%
4.4177922999999995
1
0.0%
4.5348988
7
0.2%
4.6878986
2
0.1%
4.7380662000000004
3
0.1%
5.2077703
6
0.2%
5.231950299999999
7
0.2%
5.3217769
3
0.1%
5.416897799999999
1
0.0%
LARGEST VALUES
41.071636
2
0.1%
40.599486999999996
1
0.0%
40.127144
1
0.0%
28.702409999999997
1
0.0%
28.397959000000004
1
0.0%
28.234344
1
0.0%
27.92997
2
0.1%
27.7661
2
0.1%
27.461807
2
0.1%
27.29767
1
0.0%
26.993462
1
0.0%
26.829047999999997
2
0.1%
26.692159999999998
2
0.1%
26.140213
1
0.0%
25.671637
1
0.0%
mutagenic
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
1
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
mutagenic
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON mutagenic:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
mutagenic
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
nmol
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
1
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
nmol
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON nmol:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
nmol
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
opr_brigid
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_hyd
0.78
weinerPol
0.78
zagreb
0.78
VAdjMa
0.77
chi1_C
0.77
a_nC
0.76
b_heavy
0.75
VDistMa
0.73
chi0_C
0.72
h_logS
-0.71
chi1
0.71
balabanJ
-0.70
vdw_vol
0.70
a_heavy
0.70

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.94
opr_nring
0.85
opr_violation
0.55
lip_violation
0.54
lip_druglike
0.46
ast_violation
0.45
opr_leadlike
0.43
ast_violation_ext
0.38
a_don
0.33
ast_fraglike
0.32
lip_don
0.28
ast_fraglike_ext
0.20
b_double
0.17
reactive
0.17
MOST FREQUENT VALUES
17
637
21.3%
11
378
12.7%
23
238
8.0%
16
204
6.8%
18
180
6.0%
13
160
5.4%
12
142
4.8%
21
124
4.2%
6
114
3.8%
22
90
3.0%
10
90
3.0%
24
89
3.0%
19
75
2.5%
20
63
2.1%
15
50
1.7%
SMALLEST VALUES
0
17
0.6%
5
7
0.2%
6
114
3.8%
7
31
1.0%
8
23
0.8%
10
90
3.0%
11
378
12.7%
12
142
4.8%
13
160
5.4%
14
43
1.4%
15
50
1.7%
16
204
6.8%
17
637
21.3%
18
180
6.0%
19
75
2.5%
LARGEST VALUES
41
1
0.0%
39
6
0.2%
38
13
0.4%
37
7
0.2%
36
17
0.6%
33
2
0.1%
32
5
0.2%
31
22
0.7%
30
25
0.8%
29
11
0.4%
28
32
1.1%
27
33
1.1%
26
26
0.9%
25
29
1.0%
24
89
3.0%
opr_leadlike
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
1
2,134
72%
2.30
0
850
28%
2.35
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
opr_leadlike
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON opr_leadlike:
opr_violation
1.00
lip_violation
0.42
lip_druglike
0.29
ast_violation_ext
0.27
ast_violation
0.23
a_don
0.22
lip_don
0.22
rings
0.15
opr_nring
0.11
b_double
0.06
ast_fraglike
0.03
Protein_descriptors_HDAC11
0.02
crossterm_pr_pr10
0.02
crossterm_pr_pr19
0.02

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_leadlike
CORRELATION RATIO WITH...
Weight
0.65
chi1
0.65
a_heavy
0.64
chi0
0.64
Kier1
0.64
b_heavy
0.64
SMR
0.64
h_mr
0.64
vdw_vol
0.64
mr
0.64
VDistMa
0.63
a_IC
0.63
chi0v
0.63
Q_VSA_HYD
0.63
opr_nring
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
3
1,130
38%
2.23
2
837
28%
2.39
4
611
20%
2.08
1
222
7%
2.52
5
131
4%
2.90
6
23
1%
2.49
0
17
1%
4.77
7
13
0%
2.19
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
opr_nring
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON opr_nring:
rings
0.85
ast_violation
0.09
opr_violation
0.09
lip_violation
0.08
ast_violation_ext
0.07
b_double
0.04
opr_leadlike
0.04
lip_druglike
0.04
a_don
0.04
ast_fraglike
0.04
lip_don
0.04
crossterm_pr_pr55
0.03
Protein_descriptors_HDAC11
0.03
crossterm_pr_pr10
0.03

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
CORRELATION RATIO WITH...
opr_brigid
0.85
balabanJ
0.84
b_ar
0.73
a_aro
0.73
h_log_pbo
0.71
h_logS
0.71
VAdjMa
0.69
zagreb
0.65
a_hyd
0.64
weinerPol
0.63
VDistMa
0.63
chi1_C
0.62
b_heavy
0.61
a_nC
0.60
opr_nrot
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
KierA2
0.95
KierFlex
0.94
Kier2
0.92
KierA3
0.92
bpol
0.88
Kier3
0.88
a_nH
0.88
KierA1
0.88
b_single
0.88
a_count
0.87
a_IC
0.86
Kier1
0.86
b_count
0.86
Q_VSA_HYD
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.70
lip_don
0.69
opr_violation
0.68
lip_violation
0.61
ast_violation_ext
0.58
opr_leadlike
0.55
lip_druglike
0.53
ast_violation
0.52
b_double
0.51
ast_fraglike
0.27
Protein_descriptors_HDAC11
0.25
crossterm_pr_pr10
0.25
crossterm_pr_pr19
0.25
crossterm_pr_pr27
0.25
MOST FREQUENT VALUES
8
396
13.3%
9
352
11.8%
10
343
11.5%
7
301
10.1%
6
230
7.7%
11
220
7.4%
5
193
6.5%
12
181
6.1%
4
179
6.0%
3
151
5.1%
13
117
3.9%
14
55
1.8%
16
49
1.6%
17
43
1.4%
15
34
1.1%
SMALLEST VALUES
0
1
0.0%
1
11
0.4%
2
32
1.1%
3
151
5.1%
4
179
6.0%
5
193
6.5%
6
230
7.7%
7
301
10.1%
8
396
13.3%
9
352
11.8%
10
343
11.5%
11
220
7.4%
12
181
6.1%
13
117
3.9%
14
55
1.8%
LARGEST VALUES
58
2
0.1%
57
1
0.0%
56
1
0.0%
38
1
0.0%
37
2
0.1%
36
4
0.1%
35
5
0.2%
34
3
0.1%
31
2
0.1%
30
6
0.2%
29
4
0.1%
28
2
0.1%
27
2
0.1%
26
1
0.0%
25
3
0.1%
opr_violation
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
1,611
54%
2.33
1
523
18%
2.18
2
328
11%
2.39
3
268
9%
2.39
4
158
5%
2.23
5
89
3%
2.32
6
7
0%
2.16
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
opr_violation
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
opr_leadlike
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00

THESE FEATURES GIVE INFORMATION
ON opr_violation:
opr_leadlike
0.44
lip_violation
0.30
ast_violation_ext
0.18
lip_druglike
0.17
lip_don
0.16
a_don
0.16
ast_violation
0.16
rings
0.12
opr_nring
0.09
b_double
0.06
ast_fraglike
0.03
crossterm_pr_pr55
0.02
Protein_descriptors_HDAC11
0.02
crossterm_pr_pr10
0.02

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
CORRELATION RATIO WITH...
chi1
0.79
Weight
0.79
a_heavy
0.79
b_heavy
0.78
chi0
0.78
h_mr
0.78
vdw_vol
0.78
mr
0.78
SMR
0.78
Kier1
0.78
chi0v
0.78
chi1v
0.77
a_IC
0.77
zagreb
0.77
PC+
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
PC+
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON PC+:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
PC+
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
PC-
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
PC-
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON PC-:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
PC-
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
PEOE_PC+
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_PC-
-1.00
lip_acc
0.94
TPSA
0.91
a_IC
0.91
a_acc
0.90
a_donacc
0.90
h_emd
0.90
h_ema
0.89
Kier1
0.89
KierA1
0.89
Weight
0.88
h_emd_C
0.88
chi0
0.88
a_heavy
0.86

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.71
opr_violation
0.70
lip_don
0.70
lip_violation
0.67
ast_violation_ext
0.62
lip_druglike
0.61
opr_leadlike
0.58
ast_violation
0.55
b_double
0.53
rings
0.41
reactive
0.32
opr_nring
0.31
ast_fraglike
0.30
ast_fraglike_ext
0.24
MOST FREQUENT VALUES
1.8567207
25
0.8%
1.5348209
24
0.8%
1.8840967
22
0.7%
0.80781788
19
0.6%
0.70170856
18
0.6%
2.4569370999999998
17
0.6%
0.86585402
16
0.5%
0.95059943
14
0.5%
1.1643364
13
0.4%
1.8694237
12
0.4%
2.0281589
11
0.4%
0.87234801
10
0.3%
2.2558043
10
0.3%
2.2697557999999995
10
0.3%
0.86588144
10
0.3%
SMALLEST VALUES
0.37402374
5
0.2%
0.38398722
1
0.0%
0.38401532
5
0.2%
0.38404277
7
0.2%
0.40030959
4
0.1%
0.40032041
4
0.1%
0.40419352
2
0.1%
0.40593371
2
0.1%
0.41484711
3
0.1%
0.41507149
1
0.0%
0.41522595
2
0.1%
0.41538772
6
0.2%
0.41540095
1
0.0%
0.41540107
3
0.1%
0.41662136
6
0.2%
LARGEST VALUES
7.894599900000001
4
0.1%
4.8501635
7
0.2%
4.7491236
2
0.1%
4.6931605
6
0.2%
4.2683392
6
0.2%
3.8389604
4
0.1%
3.7379205
2
0.1%
3.6987512000000002
7
0.2%
3.6819574999999998
4
0.1%
3.450254
2
0.1%
3.4330432
2
0.1%
3.4225781000000004
1
0.0%
3.3932116000000003
1
0.0%
3.3343290999999997
1
0.0%
3.1927347000000004
2
0.1%
PEOE_PC-
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_PC+
-1.00
lip_acc
-0.94
a_IC
-0.91
TPSA
-0.91
a_acc
-0.90
a_donacc
-0.90
h_ema
-0.90
Kier1
-0.89
Weight
-0.89
KierA1
-0.89
chi0
-0.88
h_emd
-0.88
h_emd_C
-0.88
a_heavy
-0.87

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.71
opr_violation
0.70
lip_don
0.69
lip_violation
0.67
ast_violation_ext
0.63
lip_druglike
0.61
opr_leadlike
0.58
ast_violation
0.55
b_double
0.53
rings
0.42
reactive
0.32
opr_nring
0.32
ast_fraglike
0.31
ast_fraglike_ext
0.24
MOST FREQUENT VALUES
-1.8567207
25
0.8%
-1.5348209
24
0.8%
-1.8840967
22
0.7%
-0.80781788
19
0.6%
-0.70170856
18
0.6%
-2.4569370999999998
17
0.6%
-0.86585402
16
0.5%
-0.95059943
14
0.5%
-1.1643364
13
0.4%
-1.8694237
12
0.4%
-2.0281589
11
0.4%
-0.8033123000000001
10
0.3%
-2.2558043
10
0.3%
-2.2697557999999995
10
0.3%
-0.86588144
10
0.3%
SMALLEST VALUES
-7.894599900000001
4
0.1%
-4.8501635
7
0.2%
-4.7491236
2
0.1%
-4.6931605
6
0.2%
-4.2683392
6
0.2%
-3.8389604
4
0.1%
-3.7379205
2
0.1%
-3.6987512000000002
7
0.2%
-3.6819574999999998
4
0.1%
-3.450254
2
0.1%
-3.4330432
2
0.1%
-3.4225781000000004
1
0.0%
-3.3932116000000003
1
0.0%
-3.3343290999999997
1
0.0%
-3.1927347000000004
2
0.1%
LARGEST VALUES
-0.37402374
5
0.2%
-0.38398722
1
0.0%
-0.38401529
1
0.0%
-0.38401532
8
0.3%
-0.38404277
7
0.2%
-0.40030959
4
0.1%
-0.40032041
4
0.1%
-0.40419352
2
0.1%
-0.40593371
2
0.1%
-0.41484711
3
0.1%
-0.41507149
1
0.0%
-0.41522595
2
0.1%
-0.41538772
6
0.2%
-0.41540095
1
0.0%
-0.41540107
3
0.1%
PEOE_RPC+
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_RPC-
0.93
VAdjEq
0.78
PEOE_PC+
-0.74
PEOE_PC-
0.74
VDistMa
-0.73
VAdjMa
-0.72
lip_acc
-0.71
VDistEq
-0.67
h_ema
-0.66
a_IC
-0.66
Weight
-0.65
TPSA
-0.65
a_acc
-0.65
PEOE_VSA_POS
-0.64

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.79
ast_violation
0.71
ast_fraglike
0.57
ast_fraglike_ext
0.52
a_don
0.50
lip_don
0.49
opr_violation
0.49
rings
0.44
opr_leadlike
0.42
lip_violation
0.37
opr_nring
0.37
lip_druglike
0.36
b_double
0.35
crossterm_pr_pr55
0.24
MOST FREQUENT VALUES
0.15237045
25
0.8%
0.18431722
24
0.8%
0.15014829999999998
22
0.7%
0.43364713
18
0.6%
0.11455514
17
0.6%
0.34841383
15
0.5%
0.31977671
14
0.5%
0.26134536
13
0.4%
0.32506031
13
0.4%
0.15959832
12
0.4%
0.13877353
11
0.4%
0.32264048
10
0.3%
0.37879902
10
0.3%
0.13409787
10
0.3%
0.13025676
10
0.3%
SMALLEST VALUES
0.037781577999999996
4
0.1%
0.058029957
7
0.2%
0.05926457
2
0.1%
0.059971265
5
0.2%
0.059971269
1
0.0%
0.07331536
4
0.1%
0.075297154
2
0.1%
0.076094538
5
0.2%
0.076094769
2
0.1%
0.07644161599999999
4
0.1%
0.077525586
1
0.0%
0.08557315199999999
6
0.2%
0.08809810900000001
2
0.1%
0.08895131199999999
2
0.1%
0.09231562900000001
3
0.1%
LARGEST VALUES
0.81356841
5
0.2%
0.74919689
4
0.1%
0.74917632
4
0.1%
0.73431355
1
0.0%
0.73292589
5
0.2%
0.73161095
7
0.2%
0.71304995
1
0.0%
0.70713484
2
0.1%
0.70020396
2
0.1%
0.69383442
6
0.2%
0.6874069
1
0.0%
0.67927772
3
0.1%
0.67808747
1
0.0%
0.67759746
6
0.2%
0.67755002
1
0.0%
PEOE_RPC-
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_RPC+
0.93
VAdjEq
0.79
VDistMa
-0.74
PEOE_PC-
0.74
PEOE_PC+
-0.73
VAdjMa
-0.73
lip_acc
-0.71
VDistEq
-0.68
h_ema
-0.68
a_IC
-0.68
Weight
-0.67
TPSA
-0.66
PEOE_VSA_PNEG
-0.66
Kier1
-0.65

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.79
ast_violation
0.72
ast_fraglike
0.58
a_don
0.56
lip_don
0.54
opr_violation
0.50
ast_fraglike_ext
0.48
rings
0.46
opr_leadlike
0.44
opr_nring
0.42
lip_violation
0.39
b_double
0.38
lip_druglike
0.37
crossterm_pr_pr55
0.24
MOST FREQUENT VALUES
0.18420021
25
0.8%
0.22593366
24
0.8%
0.18404382
22
0.7%
0.33180454
19
0.6%
0.46698135
18
0.6%
0.25121677
17
0.6%
0.12684868
17
0.6%
0.31205657
16
0.5%
0.30183125
14
0.5%
0.25038293
13
0.4%
0.14337982
12
0.4%
0.16156706
11
0.4%
0.11882132
10
0.3%
0.15245461
10
0.3%
0.1576485
10
0.3%
SMALLEST VALUES
0.039468985
4
0.1%
0.072879329
7
0.2%
0.074354455
2
0.1%
0.075241089
6
0.2%
0.078394413
2
0.1%
0.079732321
1
0.0%
0.082811132
6
0.2%
0.08555302
7
0.2%
0.085553437
1
0.0%
0.088567264
2
0.1%
0.089301221
5
0.2%
0.08930122900000001
2
0.1%
0.089913428
4
0.1%
0.09207613
4
0.1%
0.09544987199999999
2
0.1%
LARGEST VALUES
0.70342624
5
0.2%
0.69800138
1
0.0%
0.69798684
9
0.3%
0.69797266
7
0.2%
0.66223174
2
0.1%
0.65951657
2
0.1%
0.65813768
4
0.1%
0.65811986
4
0.1%
0.64608371
3
0.1%
0.64576262
1
0.0%
0.6455276
2
0.1%
0.64527065
6
0.2%
0.64525044
1
0.0%
0.64525026
3
0.1%
0.64167613
6
0.2%
PEOE_VSA+0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_POS
0.86
chi0v_C
0.76
a_nH
0.76
chi1v_C
0.76
a_count
0.75
b_count
0.75
vsa_hyd
0.74
chi0_C
0.74
apol
0.74
PEOE_VSA_HYD
0.74
b_single
0.73
bpol
0.73
Q_VSA_HYD
0.72
Q_VSA_POS
0.72

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.55
lip_violation
0.50
ast_violation
0.47
ast_violation_ext
0.45
opr_leadlike
0.43
a_don
0.43
lip_don
0.42
lip_druglike
0.40
b_double
0.34
rings
0.32
ast_fraglike
0.26
opr_nring
0.24
ast_fraglike_ext
0.23
crossterm_pr_pr55
0.18
MOST FREQUENT VALUES
128.6765
102
3.4%
178.31052
85
2.8%
112.868
84
2.8%
126.46796
77
2.6%
144.48498999999998
74
2.5%
97.05950899999999
70
2.3%
207.71896
60
2.0%
142.27646000000001
59
2.0%
191.91048
55
1.8%
146.69353
49
1.6%
158.08495
46
1.5%
83.459549
46
1.5%
94.850967
45
1.5%
81.251015
44
1.5%
162.50203
44
1.5%
SMALLEST VALUES
0.0
11
0.4%
4.4170794
2
0.1%
6.6256189
2
0.1%
8.8341589
1
0.0%
15.808495
6
0.2%
18.017035
3
0.1%
22.434114
4
0.1%
24.642653
1
0.0%
25.914103
4
0.1%
29.408448999999997
1
0.0%
31.616989
16
0.5%
33.825527
5
0.2%
34.822193
2
0.1%
36.034069
12
0.4%
38.242607
10
0.3%
LARGEST VALUES
490.06332000000003
2
0.1%
485.99495999999994
1
0.0%
474.25485
1
0.0%
472.39502000000005
1
0.0%
470.18645999999995
1
0.0%
458.44635
1
0.0%
456.58652
2
0.1%
454.37799
2
0.1%
440.77802
2
0.1%
438.56949000000003
3
0.1%
436.08615
1
0.0%
436.01224
1
0.0%
424.96954000000005
1
0.0%
422.76099000000005
2
0.1%
420.27768
1
0.0%
PEOE_VSA+1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_pavgQ
0.55
GCUT_PEOE_0
-0.53
PEOE_VSA_POS
0.46
vsa_hyd
0.44
PEOE_VSA_HYD
0.44
h_pKb
-0.44
chi0_C
0.40
chi0v_C
0.40
h_pstates
0.40
SMR
0.39
a_nH
0.38
b_count
0.38
Q_VSA_HYD
0.38
Q_VSA_POS
0.38

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.35
crossterm_pr_pr55
0.31
Protein_descriptors_HDAC11
0.30
crossterm_pr_pr10
0.30
crossterm_pr_pr19
0.30
crossterm_pr_pr27
0.30
crossterm_pr_pr34
0.30
crossterm_pr_pr40
0.30
crossterm_pr_pr45
0.30
crossterm_pr_pr49
0.30
crossterm_pr_pr52
0.30
crossterm_pr_pr54
0.30
ast_violation
0.30
a_don
0.30
MOST FREQUENT VALUES
15.808495
178
6.0%
38.31654
175
5.9%
29.207597999999997
149
5.0%
45.016090000000005
137
4.6%
36.108002
111
3.7%
24.267014
98
3.3%
22.508045000000003
87
2.9%
31.616989
87
2.9%
42.807552
75
2.5%
18.017035
70
2.3%
0.0
59
2.0%
90.106117
50
1.7%
40.525082
44
1.5%
30.966565999999997
43
1.4%
58.616046999999995
43
1.4%
SMALLEST VALUES
0.0
59
2.0%
2.2085397
36
1.2%
4.4170794
5
0.2%
4.5197462999999996
4
0.1%
6.6995511
22
0.7%
6.7282863
3
0.1%
8.458519
6
0.2%
8.9080906
4
0.1%
9.039492599999999
3
0.1%
10.667059
1
0.0%
11.116631
1
0.0%
13.325171
3
0.1%
13.399102
9
0.3%
15.158071
6
0.2%
15.607642000000002
1
0.0%
LARGEST VALUES
180.41308999999998
1
0.0%
178.20453999999998
1
0.0%
178.13062
2
0.1%
173.71353
1
0.0%
162.39604
1
0.0%
162.32211
2
0.1%
155.62256000000002
6
0.2%
151.00464
1
0.0%
148.92302
3
0.1%
146.51363
1
0.0%
141.09665
9
0.3%
139.81407
4
0.1%
139.27518
1
0.0%
135.32306
7
0.2%
135.09058000000002
1
0.0%
PEOE_VSA+2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_ema
0.58
a_acc
0.56
lip_acc
0.54
h_emd_C
0.54
PEOE_PC-
-0.54
PEOE_PC+
0.54
a_nN
0.52
a_IC
0.49
a_donacc
0.48
Q_VSA_HYD
0.48
Q_VSA_POS
0.48
vdw_area
0.48
PEOE_VSA_HYD
0.48
chi1
0.48

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.37
lip_violation
0.36
rings
0.34
a_don
0.33
lip_druglike
0.33
lip_don
0.32
ast_violation
0.31
ast_violation_ext
0.31
b_double
0.30
opr_nring
0.29
opr_leadlike
0.26
ast_fraglike
0.22
ast_fraglike_ext
0.16
crossterm_pr_pr55
0.13
MOST FREQUENT VALUES
0.0
510
17.1%
20.299505
408
13.7%
26.999058
200
6.7%
31.490068
182
6.1%
40.59901
114
3.8%
11.190562
93
3.1%
29.320351000000002
86
2.9%
31.616989
83
2.8%
6.6995511
65
2.2%
28.758026
54
1.8%
60.898518
54
1.8%
9.020845399999999
50
1.7%
17.890114
38
1.3%
36.019901000000004
35
1.2%
36.108002
33
1.1%
SMALLEST VALUES
0.0
510
17.1%
2.2085397
23
0.8%
5.682576200000001
1
0.0%
6.6995511
65
2.2%
8.458519
27
0.9%
9.0107584
3
0.1%
9.020845399999999
50
1.7%
11.190562
93
3.1%
11.229385
3
0.1%
13.166623999999999
10
0.3%
13.399102
12
0.4%
15.158071
29
1.0%
15.375164000000002
3
0.1%
15.720397
5
0.2%
15.808495
31
1.0%
LARGEST VALUES
218.67664
1
0.0%
196.09465
4
0.1%
126.28805
5
0.2%
121.79704
1
0.0%
113.7227
6
0.2%
112.6881
1
0.0%
108.5334
2
0.1%
108.19708
1
0.0%
108.1317
7
0.2%
105.98853999999999
5
0.2%
99.415909
3
0.1%
96.446815
4
0.1%
95.25610400000001
10
0.3%
94.79798100000001
1
0.0%
94.59713
3
0.1%
PEOE_VSA+3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_acc
0.53
a_nO
0.52
PEOE_PC-
-0.52
PEOE_PC+
0.52
SlogP_VSA5
0.47
PEOE_RPC+
-0.46
h_emd_C
0.46
a_donacc
0.44
lip_acc
0.44
SMR_VSA3
0.42
Weight
0.42
KierA2
0.41
KierA1
0.41
chi1
0.41

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.41
opr_leadlike
0.39
ast_violation_ext
0.38
ast_violation
0.30
lip_violation
0.27
rings
0.27
lip_druglike
0.25
a_don
0.25
lip_don
0.24
opr_nring
0.24
b_double
0.17
Protein_descriptors_HDAC11
0.16
crossterm_pr_pr10
0.16
crossterm_pr_pr19
0.16
MOST FREQUENT VALUES
0.0
1,193
40.0%
6.6995511
156
5.2%
20.299505
140
4.7%
8.458519
132
4.4%
35.658428
105
3.5%
39.521236
94
3.2%
22.058474
77
2.6%
24.790518
65
2.2%
15.158071
54
1.8%
11.190562
49
1.6%
51.789574
39
1.3%
44.116946999999996
37
1.2%
60.448948
37
1.2%
13.399102
37
1.2%
9.020845399999999
37
1.2%
SMALLEST VALUES
0.0
1,193
40.0%
2.2085397
2
0.1%
4.5197462999999996
1
0.0%
6.6995511
156
5.2%
8.458519
132
4.4%
9.020845399999999
37
1.2%
10.105608
6
0.2%
11.190562
49
1.6%
13.166623999999999
5
0.2%
13.399102
37
1.2%
15.158071
54
1.8%
15.681574
3
0.1%
15.720397
1
0.0%
15.808495
5
0.2%
16.917038
28
0.9%
LARGEST VALUES
164.69218
1
0.0%
151.09224
6
0.2%
142.63371
3
0.1%
129.03377
1
0.0%
115.43381000000001
7
0.2%
110.29236999999999
3
0.1%
106.97528999999999
7
0.2%
106.32486999999999
1
0.0%
105.15093999999999
7
0.2%
101.83385
17
0.6%
93.375336
3
0.1%
91.288589
1
0.0%
91.077477
1
0.0%
88.23389399999999
37
1.2%
86.47493
2
0.1%
PEOE_VSA+4
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_PPOS
0.63
PEOE_VSA_FPPOS
0.52
PEOE_VSA_POL
0.51
vsa_other
0.43
weinerPath
0.43
h_ema
0.42
lip_acc
0.42
TPSA
0.42
a_donacc
0.41
PEOE_PC-
-0.41
PEOE_PC+
0.41
a_acc
0.40
PEOE_VSA_FPOL
0.38
PEOE_VSA_FHYD
-0.38

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.41
lip_don
0.41
b_double
0.34
lip_violation
0.26
opr_violation
0.25
ast_violation_ext
0.23
lip_druglike
0.22
opr_leadlike
0.21
ast_violation
0.21
Protein_descriptors_HDAC11
0.18
crossterm_pr_pr10
0.18
crossterm_pr_pr19
0.18
crossterm_pr_pr27
0.18
crossterm_pr_pr34
0.18
MOST FREQUENT VALUES
0.0
2,498
83.7%
22.058474
111
3.7%
19.760618
63
2.1%
8.458519
51
1.7%
12.949531
44
1.5%
15.681574
38
1.3%
24.790518
35
1.2%
6.6995511
20
0.7%
24.140093
20
0.7%
31.625538
15
0.5%
25.899061
11
0.4%
20.299505
9
0.3%
35.008007
8
0.3%
44.116946999999996
7
0.2%
14.708499
7
0.2%
SMALLEST VALUES
0.0
2,498
83.7%
6.6995511
20
0.7%
8.458519
51
1.7%
10.105608
2
0.1%
11.190562
3
0.1%
12.949531
44
1.5%
13.501769
6
0.2%
13.511857000000001
2
0.1%
14.708499
7
0.2%
15.681574
38
1.3%
19.649082
1
0.0%
19.760618
63
2.1%
20.299505
9
0.3%
22.058474
111
3.7%
22.6208
2
0.1%
LARGEST VALUES
81.198021
4
0.1%
52.47076800000001
1
0.0%
49.581036
1
0.0%
46.198566
1
0.0%
44.116946999999996
7
0.2%
42.357979
1
0.0%
41.819092
2
0.1%
40.472091999999996
2
0.1%
35.658428
1
0.0%
35.008007
8
0.3%
31.625538
15
0.5%
30.516994
4
0.1%
28.758026
4
0.1%
28.631104999999998
5
0.2%
28.219137
4
0.1%
PEOE_VSA+5
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA-5
0.82
PEOE_VSA_POL
0.79
PEOE_VSA_PPOS
0.75
PEOE_VSA_PNEG
0.74
SMR_VSA0
0.73
vsa_pol
0.73
TPSA
0.71
h_emd
0.71
vsa_acc
0.70
SlogP_VSA2
0.69
lip_acc
0.65
b_rotN
0.65
vsa_don
0.64
KierA3
0.64

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.68
a_don
0.68
ast_violation_ext
0.54
b_double
0.52
opr_violation
0.46
lip_violation
0.42
lip_druglike
0.40
opr_leadlike
0.37
ast_violation
0.35
rings
0.20
opr_nring
0.18
Protein_descriptors_HDAC11
0.18
crossterm_pr_pr10
0.18
crossterm_pr_pr19
0.18
MOST FREQUENT VALUES
12.949531
876
29.4%
25.899061
829
27.8%
0.0
713
23.9%
38.848595
210
7.0%
4.1846013
46
1.5%
27.65803
39
1.3%
64.747658
35
1.2%
40.607563
34
1.1%
17.134132
31
1.0%
42.366531
27
0.9%
30.083664000000002
23
0.8%
51.798122
19
0.6%
41.580635
12
0.4%
6.6995511
10
0.3%
36.302959
10
0.3%
SMALLEST VALUES
0.0
713
23.9%
4.1846013
46
1.5%
6.6995511
10
0.3%
12.949531
876
29.4%
14.708499
8
0.3%
17.134132
31
1.0%
17.784554999999997
1
0.0%
19.649082
3
0.1%
25.899061
829
27.8%
25.92128
3
0.1%
26.348633000000003
9
0.3%
26.549485999999998
1
0.0%
27.65803
39
1.3%
28.631104999999998
1
0.0%
30.083664000000002
23
0.8%
LARGEST VALUES
171.07594
4
0.1%
90.646713
1
0.0%
80.42923
2
0.1%
66.506622
2
0.1%
64.747658
35
1.2%
55.316058999999996
4
0.1%
54.530167000000006
8
0.3%
54.33529300000001
2
0.1%
53.557091
1
0.0%
51.798122
19
0.6%
45.090022999999995
1
0.0%
42.366531
27
0.9%
41.580635
12
0.4%
40.607563
34
1.1%
39.499016
3
0.1%
PEOE_VSA+6
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA+5
-0.41
h_pKa
-0.37
b_max1len
-0.36
SlogP_VSA8
-0.35
BCUT_SLOGP_3
-0.34
SMR_VSA6
0.31
h_pstates
0.26
GCUT_SMR_0
0.26
BCUT_PEOE_3
-0.23
h_log_dbo
0.21
BCUT_SMR_0
0.20
b_1rotR
-0.20
crossterm_pr_pr37
0.19
crossterm_pr_pr7
0.19

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.31
Protein_descriptors_HDAC11
0.24
crossterm_pr_pr10
0.24
crossterm_pr_pr19
0.24
crossterm_pr_pr27
0.24
crossterm_pr_pr34
0.24
crossterm_pr_pr40
0.24
crossterm_pr_pr45
0.24
crossterm_pr_pr49
0.24
crossterm_pr_pr52
0.24
crossterm_pr_pr54
0.24
crossterm_pr_pr55
0.24
a_don
0.22
lip_don
0.21
MOST FREQUENT VALUES
0.0
1,716
57.5%
12.949531
920
30.8%
9.045501699999999
57
1.9%
19.199510999999998
56
1.9%
17.134132
48
1.6%
17.440542
40
1.3%
32.14904
30
1.0%
28.308455
20
0.7%
21.995033
15
0.5%
14.708499
12
0.4%
27.65803
11
0.4%
21.625142999999998
11
0.4%
31.384512
8
0.3%
41.257984
5
0.2%
20.324163000000002
5
0.2%
SMALLEST VALUES
0.0
1,716
57.5%
4.1846013
5
0.2%
9.045501699999999
57
1.9%
12.949531
920
30.8%
14.29021
2
0.1%
14.708499
12
0.4%
14.733156
1
0.0%
15.295482000000002
2
0.1%
17.134132
48
1.6%
17.440542
40
1.3%
19.199510999999998
56
1.9%
20.324163000000002
5
0.2%
21.625142999999998
11
0.4%
21.995033
15
0.5%
22.083132
2
0.1%
LARGEST VALUES
78.641006
1
0.0%
44.334042
1
0.0%
41.257984
5
0.2%
38.399021000000005
2
0.1%
38.041996000000005
3
0.1%
32.14904
30
1.0%
31.384512
8
0.3%
30.734087
1
0.0%
30.390074
2
0.1%
28.782682
2
0.1%
28.308455
20
0.7%
28.245012
1
0.0%
27.65803
11
0.4%
26.486044
1
0.0%
26.116156
1
0.0%
PEOE_VSA-0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_FPOS
-0.77
PEOE_VSA_FNEG
0.77
PEOE_VSA_NEG
0.75
SlogP_VSA7
0.45
PEOE_VSA_POS
-0.35
PEOE_VSA+0
-0.35
BCUT_SMR_1
-0.31
GCUT_PEOE_1
0.30
PEOE_RPC+
0.29
h_logP
0.29
SMR_VSA5
0.28
BCUT_PEOE_2
0.28
GCUT_SMR_0
0.27
logP(o/w)
0.27

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.21
lip_don
0.20
a_don
0.18
opr_nring
0.17
crossterm_pr_pr55
0.17
rings
0.16
Protein_descriptors_HDAC11
0.14
crossterm_pr_pr10
0.14
crossterm_pr_pr19
0.14
crossterm_pr_pr27
0.14
crossterm_pr_pr34
0.14
crossterm_pr_pr40
0.14
crossterm_pr_pr45
0.14
crossterm_pr_pr49
0.14
MOST FREQUENT VALUES
0.0
1,150
38.5%
31.616989
153
5.1%
81.251015
151
5.1%
33.825527
145
4.9%
18.017035
130
4.4%
65.44252
103
3.5%
79.042473
87
2.9%
67.651054
82
2.7%
20.225573999999998
75
2.5%
2.2085397
58
1.9%
15.808495
58
1.9%
17.784554999999997
58
1.9%
36.034069
47
1.6%
54.051102
43
1.4%
115.07654
36
1.2%
SMALLEST VALUES
0.0
1,150
38.5%
2.2085397
58
1.9%
4.1846013
17
0.6%
4.4170794
3
0.1%
6.393140799999999
4
0.1%
6.6256189
16
0.5%
10.540833000000001
6
0.2%
15.808495
58
1.9%
17.784554999999997
58
1.9%
18.017035
130
4.4%
20.225573999999998
75
2.5%
21.480953
2
0.1%
21.969158
2
0.1%
22.201635
11
0.4%
24.177695999999997
4
0.1%
LARGEST VALUES
237.12742999999998
5
0.2%
225.73601000000002
1
0.0%
216.55312999999998
3
0.1%
202.95317
1
0.0%
184.93614
2
0.1%
182.7276
3
0.1%
180.51906
1
0.0%
178.31052
3
0.1%
169.47636
2
0.1%
162.50203
31
1.0%
160.29349
2
0.1%
158.70139
2
0.1%
158.08495
2
0.1%
148.90207
14
0.5%
146.69353
28
0.9%
PEOE_VSA-1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
GCUT_SMR_2
0.40
a_ICM
0.36
density
0.32
SlogP_VSA6
0.31
SlogP_VSA1
0.28
SMR_VSA1
0.25
BCUT_SMR_2
0.24
a_nN
0.24
h_ema
0.24
vsa_acc
0.23
logS
-0.23
vsa_pol
0.22
diameter
0.22
h_logS
-0.21

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nCl
0.81
ast_violation_ext
0.21
opr_violation
0.20
opr_nring
0.20
rings
0.20
b_double
0.20
a_don
0.19
opr_leadlike
0.18
lip_violation
0.18
lip_don
0.17
ast_violation
0.16
lip_druglike
0.14
a_nS
0.11
a_nF
0.10
MOST FREQUENT VALUES
27.850786
2,300
77.1%
41.010288
175
5.9%
57.432731999999994
124
4.2%
38.736046
114
3.8%
32.035389
65
2.2%
35.925990999999996
21
0.7%
36.21999
18
0.6%
87.014679
18
0.6%
34.363586
16
0.5%
49.819942
14
0.5%
70.592239
13
0.4%
47.985904999999995
12
0.4%
46.692863
12
0.4%
88.334724
10
0.3%
47.611404
8
0.3%
SMALLEST VALUES
27.850786
2,300
77.1%
32.035389
65
2.2%
33.931049
1
0.0%
34.363586
16
0.5%
35.925990999999996
21
0.7%
36.21999
18
0.6%
37.271824
2
0.1%
38.73494
1
0.0%
38.736046
114
3.8%
41.010288
175
5.9%
43.659279
7
0.2%
45.593277
7
0.2%
45.635342
5
0.2%
46.692863
12
0.4%
47.611404
8
0.3%
LARGEST VALUES
95.08989
2
0.1%
88.334724
10
0.3%
87.014679
18
0.6%
77.193352
1
0.0%
70.592239
13
0.4%
68.317993
4
0.1%
65.80193299999999
1
0.0%
65.507942
2
0.1%
63.419899
3
0.1%
62.07975
1
0.0%
59.867309999999996
2
0.1%
59.235298
3
0.1%
57.578125
5
0.2%
57.432731999999994
124
4.2%
56.520603
1
0.0%
PEOE_VSA-2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
weinerPath
0.58
vsa_pol
0.55
TPSA
0.52
SlogP_VSA0
0.51
vsa_don
0.50
b_rotN
0.50
h_ema
0.50
SMR_VSA4
0.49
b_1rotN
0.49
a_nN
0.48
h_emd
0.47
KierA3
0.47
Kier3
0.47
a_donacc
0.46

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.69
a_don
0.67
b_double
0.61
opr_violation
0.29
lip_violation
0.28
ast_violation_ext
0.25
reactive
0.22
lip_druglike
0.20
ast_violation
0.17
opr_leadlike
0.17
Protein_descriptors_HDAC11
0.16
crossterm_pr_pr10
0.16
crossterm_pr_pr19
0.16
crossterm_pr_pr27
0.16
MOST FREQUENT VALUES
0.0
2,389
80.1%
9.421039599999999
175
5.9%
5.682576200000001
163
5.5%
17.742489000000003
53
1.8%
18.842079000000002
37
1.2%
10.885261999999999
31
1.0%
8.0752068
28
0.9%
15.103616
22
0.7%
39.521236
16
0.5%
19.760618
15
0.5%
57.263725
10
0.3%
31.309409999999996
8
0.3%
32.016521000000004
7
0.2%
13.566920999999999
6
0.2%
16.965525
5
0.2%
SMALLEST VALUES
0.0
2,389
80.1%
5.682576200000001
163
5.5%
8.0752068
28
0.9%
9.421039599999999
175
5.9%
10.885261999999999
31
1.0%
13.566920999999999
6
0.2%
15.103616
22
0.7%
16.965525
5
0.2%
17.742489000000003
53
1.8%
18.842079000000002
37
1.2%
19.760618
15
0.5%
22.987961
3
0.1%
23.817272
1
0.0%
27.163528000000003
3
0.1%
29.581946999999996
1
0.0%
LARGEST VALUES
143.03951
4
0.1%
57.263725
10
0.3%
49.051899
2
0.1%
39.521236
16
0.5%
35.725906
3
0.1%
35.484978000000005
2
0.1%
32.016521000000004
7
0.2%
31.309409999999996
8
0.3%
29.581946999999996
1
0.0%
27.163528000000003
3
0.1%
23.817272
1
0.0%
22.987961
3
0.1%
19.760618
15
0.5%
18.842079000000002
37
1.2%
17.742489000000003
53
1.8%
PEOE_VSA-3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SMR_VSA1
0.43
SlogP_VSA6
0.38
density
0.33
a_ICM
0.33
PEOE_RPC-
-0.19
PEOE_PC-
-0.19
PEOE_PC+
0.19
GCUT_SLOGP_2
0.17
PEOE_VSA_NEG
0.17
vsa_pol
0.17
SlogP_VSA4
0.17
vsa_acc
0.16
weinerPol
0.16
zagreb
0.16

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nF
0.76
b_triple
0.26
opr_nring
0.22
opr_violation
0.22
a_don
0.21
opr_leadlike
0.21
lip_violation
0.21
rings
0.20
lip_don
0.20
lip_druglike
0.16
ast_violation_ext
0.16
b_double
0.15
a_nS
0.14
ast_violation
0.12
MOST FREQUENT VALUES
0.0
2,339
78.4%
5.682576200000001
182
6.1%
9.421039599999999
166
5.6%
35.725906
51
1.7%
15.103616
51
1.7%
13.566920999999999
42
1.4%
27.133841999999998
28
0.9%
17.047728
25
0.8%
19.249496
21
0.7%
45.146946
14
0.5%
11.365152
11
0.4%
17.742489000000003
11
0.4%
53.468394999999994
9
0.3%
33.238312
7
0.2%
2.503756
6
0.2%
SMALLEST VALUES
0.0
2,339
78.4%
2.503756
6
0.2%
5.682576200000001
182
6.1%
5.9023595
1
0.0%
9.421039599999999
166
5.6%
11.365152
11
0.4%
11.908636
2
0.1%
13.566920999999999
42
1.4%
15.103616
51
1.7%
17.047728
25
0.8%
17.742489000000003
11
0.4%
19.249496
21
0.7%
20.786192
6
0.2%
23.425066
2
0.1%
23.817272
2
0.1%
LARGEST VALUES
53.468394999999994
9
0.3%
45.146946
14
0.5%
41.408482
5
0.2%
35.725906
51
1.7%
33.238312
7
0.2%
27.133841999999998
28
0.9%
24.932074
3
0.1%
23.817272
2
0.1%
23.425066
2
0.1%
20.786192
6
0.2%
19.249496
21
0.7%
17.742489000000003
11
0.4%
17.047728
25
0.8%
15.103616
51
1.7%
13.566920999999999
42
1.4%
PEOE_VSA-4
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_PNEG
0.68
PEOE_VSA_POL
0.56
a_donacc
0.56
a_IC
0.55
KierA1
0.54
Weight
0.54
h_emd
0.54
PEOE_PC-
-0.53
PEOE_PC+
0.53
chi0
0.53
h_ema
0.53
TPSA
0.52
Kier1
0.52
vsa_pol
0.52

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.56
lip_don
0.53
ast_violation_ext
0.46
ast_violation
0.45
lip_violation
0.43
opr_violation
0.39
lip_druglike
0.35
a_nF
0.33
a_nS
0.33
opr_leadlike
0.30
rings
0.25
opr_nring
0.23
ast_fraglike
0.20
b_double
0.17
MOST FREQUENT VALUES
5.682576200000001
866
29.0%
0.0
591
19.8%
11.365152
506
17.0%
17.047728
167
5.6%
11.908636
106
3.6%
17.591210999999998
95
3.2%
32.016521000000004
94
3.2%
19.249496
89
3.0%
23.273788
76
2.5%
24.932074
47
1.6%
37.6991
40
1.3%
13.566920999999999
36
1.2%
5.9023595
36
1.2%
22.730304999999998
30
1.0%
28.956364
27
0.9%
SMALLEST VALUES
0.0
591
19.8%
5.682576200000001
866
29.0%
5.9023595
36
1.2%
11.365152
506
17.0%
11.584935
4
0.1%
11.908636
106
3.6%
13.566920999999999
36
1.2%
17.047728
167
5.6%
17.591210999999998
95
3.2%
19.249496
89
3.0%
22.730304999999998
30
1.0%
23.273788
76
2.5%
23.817272
23
0.8%
24.932074
47
1.6%
25.151854999999998
8
0.3%
LARGEST VALUES
73.51718100000001
4
0.1%
67.834602
10
0.3%
56.825759999999995
4
0.1%
54.267685
11
0.4%
51.266022
1
0.0%
44.725052000000005
3
0.1%
44.181568
2
0.1%
43.925159
1
0.0%
42.523284999999994
2
0.1%
40.864998
11
0.4%
39.042477000000005
2
0.1%
38.498993
2
0.1%
37.6991
40
1.3%
36.840709999999994
2
0.1%
35.725906
2
0.1%
PEOE_VSA-5
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_POL
0.82
PEOE_VSA+5
0.82
PEOE_VSA_PNEG
0.80
SMR_VSA0
0.79
PEOE_VSA_PPOS
0.75
TPSA
0.73
vsa_pol
0.71
h_emd
0.69
SlogP_VSA2
0.68
vsa_acc
0.68
lip_acc
0.66
PEOE_VSA_FHYD
-0.65
PEOE_VSA_FPOL
0.65
PEOE_PC-
-0.65

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.72
a_don
0.67
lip_don
0.66
ast_violation_ext
0.48
opr_violation
0.43
lip_violation
0.42
lip_druglike
0.40
opr_leadlike
0.34
ast_violation
0.32
reactive
0.30
a_nS
0.24
Protein_descriptors_HDAC11
0.20
crossterm_pr_pr10
0.20
crossterm_pr_pr19
0.20
MOST FREQUENT VALUES
13.566920999999999
1,285
43.1%
27.133841999999998
917
30.7%
40.700764
267
8.9%
38.498993
89
3.0%
29.637597999999997
71
2.4%
32.816418
50
1.7%
19.249496
40
1.3%
67.834602
40
1.3%
43.204516999999996
40
1.3%
54.267685
39
1.3%
46.383339
24
0.8%
47.497971
13
0.4%
32.141354
11
0.4%
21.642128
11
0.4%
18.574432
10
0.3%
SMALLEST VALUES
13.566920999999999
1,285
43.1%
16.070677
4
0.1%
18.574432
10
0.3%
19.249496
40
1.3%
21.642128
11
0.4%
21.753254000000002
1
0.0%
27.133841999999998
917
30.7%
29.637597999999997
71
2.4%
32.078938
4
0.1%
32.141354
11
0.4%
32.816418
50
1.7%
35.320175
7
0.2%
38.498993
89
3.0%
40.700764
267
8.9%
41.00275
6
0.2%
LARGEST VALUES
176.36996000000002
4
0.1%
94.96844499999999
1
0.0%
81.429016
9
0.3%
81.401527
5
0.2%
73.736961
1
0.0%
72.430038
2
0.1%
70.338364
2
0.1%
68.136589
1
0.0%
67.834602
40
1.3%
66.747467
2
0.1%
61.064888
7
0.2%
56.771439
4
0.1%
54.267685
39
1.3%
52.065914
4
0.1%
48.887096
6
0.2%
PEOE_VSA-6
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_nO
0.48
PEOE_PC-
-0.38
PEOE_PC+
0.38
a_acc
0.37
PEOE_VSA+3
0.36
h_emd_C
0.35
SMR_VSA3
0.34
SlogP_VSA5
0.30
lip_acc
0.29
KierA1
0.28
weinerPol
0.28
bpol
0.27
PEOE_VSA_POS
0.27
a_donacc
0.26

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.25
lip_violation
0.21
opr_leadlike
0.18
ast_violation_ext
0.17
rings
0.17
a_nS
0.15
a_don
0.15
reactive
0.14
opr_nring
0.14
lip_druglike
0.13
lip_don
0.13
ast_violation
0.12
Protein_descriptors_HDAC11
0.11
crossterm_pr_pr10
0.11
MOST FREQUENT VALUES
0.0
1,990
66.7%
2.503756
510
17.1%
5.0075121
193
6.5%
7.5112681
101
3.4%
5.9023595
82
2.7%
10.015024
32
1.1%
8.4061155
19
0.6%
32.016521000000004
10
0.3%
15.022535999999999
8
0.3%
17.526293
7
0.2%
5.682576200000001
7
0.2%
6.6159577
6
0.2%
34.520278999999995
6
0.2%
58.283009
6
0.2%
11.365152
2
0.1%
SMALLEST VALUES
0.0
1,990
66.7%
2.503756
510
17.1%
5.0075121
193
6.5%
5.682576200000001
7
0.2%
5.9023595
82
2.7%
6.6159577
6
0.2%
7.5112681
101
3.4%
8.4061155
19
0.6%
10.015024
32
1.1%
11.365152
2
0.1%
12.518781
1
0.0%
15.022535999999999
8
0.3%
16.008260999999997
1
0.0%
16.965525
1
0.0%
17.047728
1
0.0%
LARGEST VALUES
58.283009
6
0.2%
34.520278999999995
6
0.2%
32.016521000000004
10
0.3%
19.551485
1
0.0%
17.526293
7
0.2%
17.047728
1
0.0%
16.965525
1
0.0%
16.008260999999997
1
0.0%
15.022535999999999
8
0.3%
12.518781
1
0.0%
11.365152
2
0.1%
10.015024
32
1.1%
8.4061155
19
0.6%
7.5112681
101
3.4%
6.6159577
6
0.2%
PEOE_VSA_FHYD
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_FPOL
-1.00
PEOE_VSA_FPNEG
-0.89
PEOE_VSA_FPPOS
-0.88
PEOE_VSA_POL
-0.75
PEOE_VSA_PPOS
-0.72
PEOE_VSA_PNEG
-0.69
PEOE_VSA-5
-0.65
SMR_VSA0
-0.63
PEOE_VSA+5
-0.62
vsa_other
-0.54
density
-0.53
logP(o/w)
0.51
TPSA
-0.50
vsa_pol
-0.50

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.51
a_don
0.50
ast_violation_ext
0.38
b_double
0.37
opr_nring
0.28
rings
0.28
a_nS
0.25
lip_violation
0.22
lip_druglike
0.19
opr_violation
0.18
ast_violation
0.18
Protein_descriptors_HDAC11
0.16
crossterm_pr_pr10
0.16
crossterm_pr_pr19
0.16
MOST FREQUENT VALUES
0.846578
47
1.6%
0.84901422
29
1.0%
0.70507807
18
0.6%
0.92178762
18
0.6%
0.84175783
17
0.6%
0.82766634
17
0.6%
0.87741828
14
0.5%
0.85491222
14
0.5%
0.78022295
13
0.4%
0.846295
13
0.4%
0.75527745
13
0.4%
0.86315691
11
0.4%
0.74118692
11
0.4%
0.89077771
11
0.4%
0.83780712
11
0.4%
SMALLEST VALUES
0.51703548
1
0.0%
0.53832316
1
0.0%
0.58521515
1
0.0%
0.5939466999999999
6
0.2%
0.60035193
1
0.0%
0.60365438
2
0.1%
0.60965276
1
0.0%
0.61986518
3
0.1%
0.62103558
1
0.0%
0.62345988
1
0.0%
0.63747299
1
0.0%
0.64310408
4
0.1%
0.64325464
2
0.1%
0.64619052
1
0.0%
0.64809662
4
0.1%
LARGEST VALUES
0.94009113
1
0.0%
0.9380663
1
0.0%
0.93668067
1
0.0%
0.93548244
1
0.0%
0.93478155
1
0.0%
0.93440348
1
0.0%
0.93415087
1
0.0%
0.93408221
1
0.0%
0.93332905
1
0.0%
0.93168914
1
0.0%
0.93138576
2
0.1%
0.93045896
8
0.3%
0.93027657
1
0.0%
0.93027222
1
0.0%
0.9298839
1
0.0%
PEOE_VSA_FNEG
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_FPOS
-1.00
PEOE_VSA-0
0.77
PEOE_VSA_NEG
0.72
PEOE_VSA+0
-0.63
PEOE_VSA_POS
-0.62
PEOE_RPC+
0.41
GCUT_SMR_0
0.36
PEOE_VSA+1
-0.35
BCUT_SMR_0
0.35
BCUT_PEOE_0
0.35
BCUT_PEOE_2
0.34
SlogP_VSA6
0.33
PEOE_RPC-
0.33
bpol
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.36
ast_violation
0.31
ast_fraglike_ext
0.28
crossterm_pr_pr55
0.27
Protein_descriptors_HDAC11
0.24
crossterm_pr_pr10
0.24
crossterm_pr_pr19
0.24
crossterm_pr_pr27
0.24
crossterm_pr_pr34
0.24
crossterm_pr_pr40
0.24
crossterm_pr_pr45
0.24
crossterm_pr_pr49
0.24
crossterm_pr_pr52
0.24
crossterm_pr_pr54
0.24
MOST FREQUENT VALUES
0.21407002
29
1.0%
0.23118781
25
0.8%
0.19968194
22
0.7%
0.34206146
17
0.6%
0.30934638
17
0.6%
0.2648423
14
0.5%
0.40102413
14
0.5%
0.15802728
13
0.4%
0.16758423
11
0.4%
0.26640999
11
0.4%
0.23379202
11
0.4%
0.15695934
10
0.3%
0.16530564
10
0.3%
0.53600872
10
0.3%
0.26605818
10
0.3%
SMALLEST VALUES
0.09632319199999999
1
0.0%
0.10298188
3
0.1%
0.10398615
2
0.1%
0.10561233
1
0.0%
0.10666882
1
0.0%
0.10729019
3
0.1%
0.10774665
1
0.0%
0.10949357
4
0.1%
0.10952588
1
0.0%
0.11062955
5
0.2%
0.11129806
6
0.2%
0.112472
3
0.1%
0.11367096
6
0.2%
0.11489576
6
0.2%
0.11561699
6
0.2%
LARGEST VALUES
0.93080962
5
0.2%
0.92100149
1
0.0%
0.91241342
2
0.1%
0.85089749
2
0.1%
0.83277309
1
0.0%
0.82800728
1
0.0%
0.81026345
1
0.0%
0.81008619
2
0.1%
0.79530752
2
0.1%
0.78922695
2
0.1%
0.73351002
3
0.1%
0.72695893
2
0.1%
0.72020572
1
0.0%
0.71413672
1
0.0%
0.71273917
1
0.0%
PEOE_VSA_FPNEG
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_FHYD
-0.89
PEOE_VSA_FPOL
0.89
PEOE_VSA_PNEG
0.76
PEOE_VSA_POL
0.68
PEOE_VSA-5
0.63
SMR_VSA0
0.61
PEOE_VSA_FPPOS
0.57
PEOE_VSA+5
0.55
density
0.55
a_ICM
0.52
GCUT_SLOGP_1
-0.51
PEOE_VSA_PPOS
0.50
PEOE_VSA-4
0.50
SMR_VSA2
0.48

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.48
lip_don
0.47
ast_violation_ext
0.37
b_double
0.35
a_nS
0.32
opr_nring
0.21
rings
0.21
lip_violation
0.21
a_nF
0.19
ast_violation
0.19
reactive
0.17
lip_druglike
0.17
opr_violation
0.16
Protein_descriptors_HDAC11
0.10
MOST FREQUENT VALUES
0.09342378400000001
47
1.6%
0.08438680300000001
29
1.0%
0.040016711
18
0.6%
0.1688991
18
0.6%
0.10154339
17
0.6%
0.10913596
17
0.6%
0.08297985
14
0.5%
0.08109037599999999
14
0.5%
0.14015038
13
0.4%
0.09634915
13
0.4%
0.12283467
13
0.4%
0.1482199
11
0.4%
0.09065052900000001
11
0.4%
0.060484632999999996
11
0.4%
0.09666743900000001
11
0.4%
SMALLEST VALUES
0.030651875
1
0.0%
0.032396805
1
0.0%
0.033009853
1
0.0%
0.033368472
1
0.0%
0.033561904
1
0.0%
0.033726297
1
0.0%
0.034111623
1
0.0%
0.03495067
1
0.0%
0.035105914
2
0.1%
0.035580076
8
0.3%
0.035673413
1
0.0%
0.03618212
1
0.0%
0.036422063
2
0.1%
0.036492332999999995
1
0.0%
0.036615752
4
0.1%
LARGEST VALUES
0.26851079
1
0.0%
0.23747459
2
0.1%
0.23552781
9
0.3%
0.23374921
2
0.1%
0.21990965
6
0.2%
0.21245953
3
0.1%
0.20673746
4
0.1%
0.20469858
2
0.1%
0.20425135
4
0.1%
0.19767834
4
0.1%
0.1962764
1
0.0%
0.19130796
1
0.0%
0.19114599
2
0.1%
0.19012652
1
0.0%
0.19005287
1
0.0%
PEOE_VSA_FPOL
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_FHYD
-1.00
PEOE_VSA_FPNEG
0.89
PEOE_VSA_FPPOS
0.88
PEOE_VSA_POL
0.75
PEOE_VSA_PPOS
0.72
PEOE_VSA_PNEG
0.69
PEOE_VSA-5
0.65
SMR_VSA0
0.63
PEOE_VSA+5
0.62
vsa_other
0.54
density
0.53
logP(o/w)
-0.51
TPSA
0.50
vsa_pol
0.50

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.51
a_don
0.50
ast_violation_ext
0.38
b_double
0.37
opr_nring
0.28
rings
0.28
a_nS
0.25
lip_violation
0.22
lip_druglike
0.19
opr_violation
0.18
ast_violation
0.18
Protein_descriptors_HDAC11
0.16
crossterm_pr_pr10
0.16
crossterm_pr_pr19
0.16
MOST FREQUENT VALUES
0.15342198
47
1.6%
0.15098575
29
1.0%
0.2949219
18
0.6%
0.07821238
18
0.6%
0.15824217
17
0.6%
0.17233363
17
0.6%
0.14508775
14
0.5%
0.1225817
14
0.5%
0.21977708
13
0.4%
0.24472253
13
0.4%
0.153705
13
0.4%
0.16219288
11
0.4%
0.10922232
11
0.4%
0.13684309
11
0.4%
0.10553756
11
0.4%
SMALLEST VALUES
0.059908874
1
0.0%
0.061933681
1
0.0%
0.063319325
1
0.0%
0.064517528
1
0.0%
0.065218449
1
0.0%
0.065596506
1
0.0%
0.06584914
1
0.0%
0.065917812
1
0.0%
0.066670924
1
0.0%
0.068310842
1
0.0%
0.068614259
2
0.1%
0.069541015
8
0.3%
0.069723435
1
0.0%
0.069727793
1
0.0%
0.07011608
1
0.0%
LARGEST VALUES
0.48296455
1
0.0%
0.46167681
1
0.0%
0.41478485
1
0.0%
0.40605333
6
0.2%
0.39964807
1
0.0%
0.39634565
2
0.1%
0.39034724
1
0.0%
0.38013482
3
0.1%
0.37896445
1
0.0%
0.37654012
1
0.0%
0.36252698
1
0.0%
0.35689592
4
0.1%
0.35674533
2
0.1%
0.35380948
1
0.0%
0.35190338
4
0.1%
PEOE_VSA_FPOS
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_FNEG
-1.00
PEOE_VSA-0
-0.77
PEOE_VSA_NEG
-0.72
PEOE_VSA+0
0.63
PEOE_VSA_POS
0.62
PEOE_RPC+
-0.41
GCUT_SMR_0
-0.36
PEOE_VSA+1
0.35
BCUT_SMR_0
-0.35
BCUT_PEOE_0
-0.35
BCUT_PEOE_2
-0.34
SlogP_VSA6
-0.33
PEOE_RPC-
-0.33
bpol
0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.36
ast_violation
0.31
ast_fraglike_ext
0.28
crossterm_pr_pr55
0.27
Protein_descriptors_HDAC11
0.24
crossterm_pr_pr10
0.24
crossterm_pr_pr19
0.24
crossterm_pr_pr27
0.24
crossterm_pr_pr34
0.24
crossterm_pr_pr40
0.24
crossterm_pr_pr45
0.24
crossterm_pr_pr49
0.24
crossterm_pr_pr52
0.24
crossterm_pr_pr54
0.24
MOST FREQUENT VALUES
0.78592998
29
1.0%
0.76881218
25
0.8%
0.80031806
22
0.7%
0.65793854
17
0.6%
0.69065362
17
0.6%
0.5989759
14
0.5%
0.73515767
14
0.5%
0.84197271
13
0.4%
0.83241576
11
0.4%
0.76620799
11
0.4%
0.73359001
11
0.4%
0.73394185
10
0.3%
0.70886701
10
0.3%
0.84304065
10
0.3%
0.6492336999999999
10
0.3%
SMALLEST VALUES
0.069190353
5
0.2%
0.078998528
1
0.0%
0.08758656699999999
2
0.1%
0.14910252
2
0.1%
0.16722691
1
0.0%
0.17199275
1
0.0%
0.18973657
1
0.0%
0.18991378
2
0.1%
0.20469247
2
0.1%
0.21077308
2
0.1%
0.26649001
3
0.1%
0.27304107
2
0.1%
0.27979428
1
0.0%
0.28586331
1
0.0%
0.28726083
1
0.0%
LARGEST VALUES
0.90367681
1
0.0%
0.89701813
3
0.1%
0.89601386
2
0.1%
0.89438766
1
0.0%
0.89333117
1
0.0%
0.89270979
3
0.1%
0.89225334
1
0.0%
0.89050645
4
0.1%
0.89047414
1
0.0%
0.88937044
5
0.2%
0.88870192
6
0.2%
0.8875280000000001
3
0.1%
0.88632905
6
0.2%
0.88510424
6
0.2%
0.88438302
6
0.2%
PEOE_VSA_FPPOS
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_FPOL
0.88
PEOE_VSA_FHYD
-0.88
PEOE_VSA_PPOS
0.78
PEOE_VSA_POL
0.65
PEOE_VSA_FPNEG
0.57
PEOE_VSA+5
0.54
PEOE_VSA-5
0.53
PEOE_VSA+4
0.52
vsa_other
0.51
SMR_VSA0
0.50
h_logP
-0.47
logP(o/w)
-0.46
PEOE_VSA_PNEG
0.46
SlogP
-0.44

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.44
a_don
0.42
opr_nring
0.33
rings
0.32
b_double
0.31
ast_violation_ext
0.31
a_base
0.29
FCharge
0.29
vsa_base
0.29
crossterm_pr_pr55
0.21
Protein_descriptors_HDAC11
0.21
crossterm_pr_pr10
0.21
crossterm_pr_pr19
0.21
crossterm_pr_pr27
0.21
MOST FREQUENT VALUES
0.059998196
47
1.6%
0.066598952
29
1.0%
0.03819567
18
0.6%
0.12602280000000002
18
0.6%
0.063197665
17
0.6%
0.056698777
17
0.6%
0.039601844
14
0.5%
0.06399738
14
0.5%
0.10457215
13
0.4%
0.09694241
13
0.4%
0.057355851
13
0.4%
0.04873769
11
0.4%
0.071542352
11
0.4%
0.036077194
11
0.4%
0.040175643
11
0.4%
SMALLEST VALUES
0.023015745
1
0.0%
0.023681115
1
0.0%
0.024103906
1
0.0%
0.024784777
2
0.1%
0.025134352999999998
1
0.0%
0.025190271
2
0.1%
0.025206898999999998
2
0.1%
0.025441347000000003
1
0.0%
0.025475652999999997
1
0.0%
0.025558081
2
0.1%
0.025989491
2
0.1%
0.026007192000000002
2
0.1%
0.026154846000000002
2
0.1%
0.026293378
2
0.1%
0.026482647
1
0.0%
LARGEST VALUES
0.42065471
1
0.0%
0.3646557
1
0.0%
0.32761806
1
0.0%
0.29741043
1
0.0%
0.23977932
1
0.0%
0.21312808
1
0.0%
0.21064572
1
0.0%
0.20077802
2
0.1%
0.19812346
1
0.0%
0.19141212
1
0.0%
0.18971959
1
0.0%
0.18835914
1
0.0%
0.18622196
1
0.0%
0.18614368
6
0.2%
0.18048573
1
0.0%
PEOE_VSA_HYD
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
vsa_hyd
0.98
chi0v_C
0.96
chi0_C
0.96
Q_VSA_HYD
0.96
Q_VSA_POS
0.96
vdw_area
0.96
SMR
0.95
apol
0.95
vdw_vol
0.95
mr
0.95
chi0v
0.95
h_mr
0.95
b_count
0.94
a_nC
0.94

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.72
lip_violation
0.67
opr_leadlike
0.59
ast_violation
0.59
ast_violation_ext
0.56
rings
0.55
lip_druglike
0.55
a_don
0.52
lip_don
0.50
opr_nring
0.47
b_double
0.37
ast_fraglike
0.37
ast_fraglike_ext
0.30
reactive
0.24
MOST FREQUENT VALUES
365.43729
47
1.6%
330.16544
29
1.0%
217.35187000000002
18
0.6%
312.51492
18
0.6%
339.18627999999995
17
0.6%
384.50104
17
0.6%
286.90976
14
0.5%
345.97393999999997
14
0.5%
208.44377
13
0.4%
280.58585
13
0.4%
382.14493
13
0.4%
321.05795
11
0.4%
253.45987000000002
11
0.4%
236.6783
11
0.4%
303.29474
11
0.4%
SMALLEST VALUES
57.259235
1
0.0%
75.276268
1
0.0%
88.876228
5
0.2%
91.084763
1
0.0%
93.293304
4
0.1%
106.89326000000001
1
0.0%
109.1018
4
0.1%
112.57583999999999
1
0.0%
124.91028999999999
2
0.1%
140.71878
5
0.2%
147.29141
1
0.0%
149.23783999999998
1
0.0%
152.1102
7
0.2%
154.96962
2
0.1%
156.52728000000002
6
0.2%
LARGEST VALUES
988.3566900000001
2
0.1%
972.5482199999999
1
0.0%
956.73969
1
0.0%
849.42657
1
0.0%
848.1911
1
0.0%
833.6180400000001
1
0.0%
832.38257
2
0.1%
817.80957
2
0.1%
816.5741
2
0.1%
802.0011
1
0.0%
800.76563
1
0.0%
786.19257
2
0.1%
767.76526
1
0.0%
766.99451
2
0.1%
751.9567900000001
1
0.0%
PEOE_VSA_NEG
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA-0
0.75
PEOE_VSA_FNEG
0.72
PEOE_VSA_FPOS
-0.72
Weight
0.47
a_heavy
0.45
chi0
0.45
b_heavy
0.45
chi1
0.45
mr
0.45
Kier1
0.45
zagreb
0.45
vsa_pol
0.45
vdw_vol
0.44
h_mr
0.44

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.38
a_don
0.38
lip_violation
0.37
opr_violation
0.35
b_double
0.32
lip_druglike
0.32
opr_leadlike
0.30
ast_violation_ext
0.29
rings
0.29
opr_nring
0.28
ast_violation
0.20
crossterm_pr_pr55
0.15
a_nS
0.15
a_nF
0.13
MOST FREQUENT VALUES
47.100285
119
4.0%
52.78286
67
2.2%
60.667202
57
1.9%
128.35128999999998
42
1.4%
94.001511
41
1.4%
66.349777
37
1.2%
55.286613
35
1.2%
65.674713
32
1.1%
83.247749
30
1.0%
41.417706
29
1.0%
99.795464
25
0.8%
82.125237
22
0.7%
86.195503
22
0.7%
43.921463
21
0.7%
74.234123
20
0.7%
SMALLEST VALUES
41.417706
29
1.0%
43.626247
2
0.1%
43.921463
21
0.7%
46.42522
1
0.0%
47.100285
119
4.0%
49.604038
18
0.6%
50.838745
5
0.2%
51.432732
1
0.0%
51.81258
1
0.0%
52.107796
1
0.0%
52.78286
67
2.2%
53.936489
1
0.0%
54.984627
13
0.4%
55.286613
35
1.2%
56.521324
1
0.0%
LARGEST VALUES
430.40502999999995
4
0.1%
317.04413
4
0.1%
303.4772
1
0.0%
275.41074
2
0.1%
275.23514
1
0.0%
269.65747000000005
1
0.0%
262.93372
1
0.0%
259.46547999999996
1
0.0%
245.49112999999997
2
0.1%
244.37087999999997
1
0.0%
243.79375
2
0.1%
243.05515
1
0.0%
240.5054
1
0.0%
235.73381
1
0.0%
234.10953999999998
2
0.1%
PEOE_VSA_PNEG
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_POL
0.95
SMR_VSA0
0.87
TPSA
0.87
PEOE_PC-
-0.84
PEOE_PC+
0.84
vsa_pol
0.84
h_emd
0.84
lip_acc
0.81
PEOE_VSA-5
0.80
a_donacc
0.79
PEOE_VSA_PPOS
0.78
vsa_acc
0.78
a_nO
0.78
SlogP_VSA2
0.77

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.75
lip_don
0.74
ast_violation_ext
0.59
b_double
0.58
lip_violation
0.56
opr_violation
0.55
lip_druglike
0.51
ast_violation
0.47
opr_leadlike
0.45
reactive
0.30
ast_fraglike
0.24
rings
0.24
a_nS
0.23
ast_fraglike_ext
0.20
MOST FREQUENT VALUES
19.249496
252
8.4%
13.566920999999999
231
7.7%
32.816418
212
7.1%
44.181568
140
4.7%
24.932074
139
4.7%
38.498993
87
2.9%
46.383339
82
2.7%
52.065914
79
2.6%
27.133841999999998
76
2.5%
35.320175
72
2.4%
45.583443
66
2.2%
29.637597999999997
64
2.1%
31.158133000000003
62
2.1%
25.475557000000002
55
1.8%
29.939584999999997
52
1.7%
SMALLEST VALUES
13.566920999999999
231
7.7%
16.070677
44
1.5%
18.574432
19
0.6%
19.249496
252
8.4%
19.469279999999998
13
0.4%
21.753254000000002
47
1.6%
21.973035999999997
19
0.6%
23.581945
1
0.0%
24.25701
3
0.1%
24.932074
139
4.7%
25.151854999999998
2
0.1%
25.475557000000002
55
1.8%
26.085701
1
0.0%
26.760765000000003
2
0.1%
27.133841999999998
76
2.5%
LARGEST VALUES
233.19572000000002
4
0.1%
129.24048
2
0.1%
121.72921000000001
2
0.1%
112.49474
7
0.2%
109.99098000000001
6
0.2%
109.81441000000001
2
0.1%
106.3336
1
0.0%
104.98347
4
0.1%
102.47971
4
0.1%
98.44925699999999
3
0.1%
96.24748199999999
8
0.3%
94.59536700000001
7
0.2%
92.794167
9
0.3%
92.3936
1
0.0%
90.78469100000001
1
0.0%
PEOE_VSA_POL
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_PNEG
0.95
PEOE_VSA_PPOS
0.94
TPSA
0.88
SMR_VSA0
0.88
h_emd
0.86
vsa_pol
0.86
PEOE_PC+
0.85
PEOE_PC-
-0.85
lip_acc
0.83
PEOE_VSA-5
0.82
a_donacc
0.80
PEOE_VSA+5
0.79
vsa_acc
0.79
SlogP_VSA2
0.79

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.78
lip_don
0.77
b_double
0.64
ast_violation_ext
0.58
opr_violation
0.55
lip_violation
0.55
lip_druglike
0.52
opr_leadlike
0.46
ast_violation
0.45
reactive
0.26
Protein_descriptors_HDAC11
0.23
crossterm_pr_pr10
0.23
crossterm_pr_pr19
0.23
crossterm_pr_pr27
0.23
MOST FREQUENT VALUES
32.199028000000006
233
7.8%
26.516451
214
7.2%
58.715481000000004
183
6.1%
37.881603000000005
117
3.9%
70.080635
113
3.8%
64.39805600000001
63
2.1%
90.914505
62
2.1%
61.219234
57
1.9%
44.107662
56
1.9%
66.22674599999999
52
1.7%
42.889114
52
1.7%
85.231934
47
1.6%
62.717575
46
1.5%
38.425087
45
1.5%
53.032902
42
1.4%
SMALLEST VALUES
26.516451
214
7.2%
29.020208
41
1.4%
31.523964000000003
9
0.3%
32.199028000000006
233
7.8%
32.418812
1
0.0%
34.702785
32
1.1%
34.922565000000006
18
0.6%
35.561954
12
0.4%
36.383629
6
0.2%
36.531475
1
0.0%
37.206539
2
0.1%
37.881603000000005
117
3.9%
38.425087
45
1.5%
39.035233000000005
1
0.0%
39.710297
2
0.1%
LARGEST VALUES
485.4697
4
0.1%
216.18207999999998
2
0.1%
204.95213
2
0.1%
196.98032
1
0.0%
186.4868
7
0.2%
185.50378
2
0.1%
185.44971
1
0.0%
183.98305
6
0.2%
179.76713999999998
3
0.1%
178.24124
1
0.0%
176.14643999999998
3
0.1%
173.55019
1
0.0%
172.75311000000002
8
0.3%
168.50964
1
0.0%
168.31735
1
0.0%
PEOE_VSA_POS
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Q_VSA_HYD
0.91
Q_VSA_POS
0.91
vdw_area
0.91
a_count
0.91
b_count
0.90
bpol
0.90
apol
0.90
chi0v
0.90
PEOE_VSA_HYD
0.89
a_IC
0.89
Kier1
0.89
SMR
0.88
chi0v_C
0.88
h_mr
0.88

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.68
lip_violation
0.63
ast_violation_ext
0.60
ast_violation
0.60
a_don
0.57
opr_leadlike
0.56
lip_don
0.55
lip_druglike
0.53
b_double
0.44
rings
0.43
ast_fraglike
0.36
opr_nring
0.33
ast_fraglike_ext
0.31
crossterm_pr_pr55
0.28
MOST FREQUENT VALUES
305.63318
30
1.0%
331.86856
25
0.8%
345.46851000000004
22
0.7%
226.14112999999998
19
0.6%
283.03705
17
0.6%
300.5354
17
0.6%
228.34967000000003
17
0.6%
242.3992
15
0.5%
240.39151
14
0.5%
380.19318
13
0.4%
157.3076
12
0.4%
269.14954
11
0.4%
205.84163
11
0.4%
265.55768
11
0.4%
218.13218999999998
11
0.4%
SMALLEST VALUES
15.158071
6
0.2%
19.57515
2
0.1%
28.758026
2
0.1%
30.966565999999997
2
0.1%
42.357979
2
0.1%
44.566521
5
0.2%
48.983601
2
0.1%
53.444347
2
0.1%
60.375015000000005
6
0.2%
62.421524
2
0.1%
62.583553
4
0.1%
66.535675
1
0.0%
73.974968
5
0.2%
76.18351
2
0.1%
78.392052
4
0.1%
LARGEST VALUES
1043.4214
2
0.1%
1027.6129
1
0.0%
1011.8044
1
0.0%
839.16174
1
0.0%
837.92627
1
0.0%
823.3532700000001
1
0.0%
822.1178
2
0.1%
807.5448
2
0.1%
806.3093299999999
2
0.1%
792.25977
2
0.1%
791.73627
1
0.0%
790.50079
1
0.0%
775.9278
2
0.1%
753.53296
1
0.0%
737.7244900000001
1
0.0%
PEOE_VSA_PPOS
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_POL
0.94
h_emd
0.79
TPSA
0.79
SMR_VSA0
0.79
PEOE_VSA_FPPOS
0.78
PEOE_VSA_PNEG
0.78
vsa_pol
0.78
PEOE_PC+
0.76
PEOE_PC-
-0.76
PEOE_VSA-5
0.75
lip_acc
0.75
PEOE_VSA+5
0.75
vsa_other
0.73
PEOE_VSA_FHYD
-0.72

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.73
lip_don
0.73
b_double
0.62
ast_violation_ext
0.50
opr_violation
0.50
lip_violation
0.48
lip_druglike
0.46
opr_leadlike
0.41
ast_violation
0.37
Protein_descriptors_HDAC11
0.25
crossterm_pr_pr10
0.25
crossterm_pr_pr19
0.25
crossterm_pr_pr27
0.25
crossterm_pr_pr34
0.25
MOST FREQUENT VALUES
12.949531
1,078
36.1%
25.899061
793
26.6%
38.848595
185
6.2%
17.134132
87
2.9%
45.659679
49
1.6%
27.65803
37
1.2%
45.098572
33
1.1%
64.747658
32
1.1%
40.607563
32
1.1%
30.083664000000002
28
0.9%
37.740047
28
0.9%
35.008007
27
0.9%
28.631104999999998
27
0.9%
21.995033
25
0.8%
30.390074
24
0.8%
SMALLEST VALUES
12.949531
1,078
36.1%
17.134132
87
2.9%
19.649082
1
0.0%
21.408051
11
0.4%
21.995033
25
0.8%
23.833682999999997
2
0.1%
25.592651
1
0.0%
25.809746
5
0.2%
25.899061
793
26.6%
26.179634
12
0.4%
26.348633000000003
9
0.3%
26.4513
6
0.2%
26.461388
2
0.1%
27.23974
2
0.1%
27.65803
37
1.2%
LARGEST VALUES
252.27397000000002
4
0.1%
100.40608
1
0.0%
95.137726
2
0.1%
93.056107
4
0.1%
91.590538
1
0.0%
91.31935899999999
1
0.0%
90.646713
1
0.0%
87.456551
1
0.0%
86.941597
2
0.1%
86.806129
1
0.0%
82.188194
8
0.3%
80.106575
5
0.2%
77.697189
3
0.1%
77.247612
2
0.1%
75.93821700000001
1
0.0%
petitjean
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
petitjeanSC
1.00
VDistEq
0.29
VAdjEq
-0.28
PEOE_RPC+
-0.27
PEOE_RPC-
-0.27
VDistMa
0.25
diameter
0.25
VAdjMa
0.24
b_rotN
0.22
Kier2
0.22
vsa_acc
0.22
Weight
0.21
Kier1
0.21
PEOE_PC-
-0.21

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.27
ast_violation
0.22
ast_fraglike_ext
0.22
ast_fraglike
0.18
opr_violation
0.18
lip_don
0.17
a_don
0.17
b_double
0.17
opr_nring
0.16
rings
0.16
crossterm_pr_pr55
0.14
Protein_descriptors_HDAC11
0.14
crossterm_pr_pr10
0.14
crossterm_pr_pr19
0.14
MOST FREQUENT VALUES
0.5
1,464
49.1%
0.46666667
441
14.8%
0.47058824
365
12.2%
0.46153846
179
6.0%
0.47368422
177
5.9%
0.47619048
108
3.6%
0.45454547
68
2.3%
0.47826087
50
1.7%
0.44444445
31
1.0%
0.47999999
26
0.9%
0.42857143
24
0.8%
0.48275861
17
0.6%
0.48387095
11
0.4%
0.40000001
9
0.3%
0.48148149
3
0.1%
SMALLEST VALUES
0.33333334
1
0.0%
0.40000001
9
0.3%
0.41176471
2
0.1%
0.42857143
24
0.8%
0.44444445
31
1.0%
0.44999999
2
0.1%
0.45454547
68
2.3%
0.46153846
179
6.0%
0.46666667
441
14.8%
0.47058824
365
12.2%
0.47368422
177
5.9%
0.47619048
108
3.6%
0.47826087
50
1.7%
0.47999999
26
0.9%
0.48148149
3
0.1%
LARGEST VALUES
0.5
1,464
49.1%
0.49122807
2
0.1%
0.49090909999999993
1
0.0%
0.48571429
1
0.0%
0.48484849999999996
2
0.1%
0.48387095
11
0.4%
0.48275861
17
0.6%
0.48148149
3
0.1%
0.47999999
26
0.9%
0.47826087
50
1.7%
0.47619048
108
3.6%
0.47368422
177
5.9%
0.47058824
365
12.2%
0.46666667
441
14.8%
0.46153846
179
6.0%
petitjeanSC
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
petitjean
1.00
VDistEq
0.27
VAdjEq
-0.26
PEOE_RPC+
-0.25
PEOE_RPC-
-0.25
VDistMa
0.23
diameter
0.23
VAdjMa
0.22
vsa_acc
0.21
b_rotN
0.21
Kier2
0.21
PEOE_VSA-5
0.21
PEOE_PC-
-0.20
PEOE_VSA_PNEG
0.20

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.26
ast_violation
0.20
ast_fraglike_ext
0.19
opr_violation
0.17
lip_don
0.17
a_don
0.16
ast_fraglike
0.16
b_double
0.16
opr_nring
0.15
rings
0.15
crossterm_pr_pr55
0.14
Protein_descriptors_HDAC11
0.14
crossterm_pr_pr10
0.14
crossterm_pr_pr19
0.14
MOST FREQUENT VALUES
1.0
1,464
49.1%
0.875
441
14.8%
0.8888889000000001
365
12.2%
0.85714287
179
6.0%
0.89999998
177
5.9%
0.90909094
108
3.6%
0.83333331
68
2.3%
0.91666669
50
1.7%
0.80000001
31
1.0%
0.92307693
26
0.9%
0.75
24
0.8%
0.93333334
17
0.6%
0.9375
11
0.4%
0.66666669
9
0.3%
0.9285714
3
0.1%
SMALLEST VALUES
0.5
1
0.0%
0.66666669
9
0.3%
0.69999999
2
0.1%
0.75
24
0.8%
0.80000001
31
1.0%
0.81818181
2
0.1%
0.83333331
68
2.3%
0.85714287
179
6.0%
0.875
441
14.8%
0.8888889000000001
365
12.2%
0.89999998
177
5.9%
0.90909094
108
3.6%
0.91666669
50
1.7%
0.92307693
26
0.9%
0.9285714
3
0.1%
LARGEST VALUES
1.0
1,464
49.1%
0.96551722
2
0.1%
0.96428573
1
0.0%
0.94444442
1
0.0%
0.94117647
2
0.1%
0.9375
11
0.4%
0.93333334
17
0.6%
0.9285714
3
0.1%
0.92307693
26
0.9%
0.91666669
50
1.7%
0.90909094
108
3.6%
0.89999998
177
5.9%
0.8888889000000001
365
12.2%
0.875
441
14.8%
0.85714287
179
6.0%
Q_PC+
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_PC+
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON Q_PC+:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_PC+
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_PC-
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_PC-
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON Q_PC-:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_PC-
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_RPC+
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_RPC+
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON Q_RPC+:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_RPC+
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_RPC-
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_RPC-
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON Q_RPC-:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_RPC-
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_FHYD
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
1
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_FHYD
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_FHYD:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_FHYD
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_FNEG
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_FNEG
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FPNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_FNEG:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_FNEG
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_FPNEG
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_FPNEG
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPOL
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_FPNEG:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_FPNEG
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_FPOL
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_FPOL
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_FPOL:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_FPOL
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_FPOS
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
1
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_FPOS
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_FPOS:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_FPOS
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_FPPOS
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_FPPOS
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_FPPOS:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_FPPOS
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_HYD
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Q_VSA_POS
1.00
vdw_area
1.00
Kier1
0.99
chi0v
0.99
chi0
0.99
apol
0.99
vdw_vol
0.98
h_mr
0.98
mr
0.98
SMR
0.98
a_IC
0.98
a_heavy
0.98
Weight
0.98
a_count
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.76
lip_violation
0.72
a_don
0.66
lip_don
0.65
ast_violation_ext
0.63
opr_leadlike
0.63
ast_violation
0.62
lip_druglike
0.62
b_double
0.51
rings
0.50
opr_nring
0.41
ast_fraglike
0.37
ast_fraglike_ext
0.30
reactive
0.28
MOST FREQUENT VALUES
431.66402999999997
47
1.6%
388.88092
29
1.0%
339.03137000000004
18
0.6%
308.26639
18
0.6%
409.81039
17
0.6%
456.78342000000004
17
0.6%
326.99313
14
0.5%
404.68942000000004
14
0.5%
451.55048
13
0.4%
267.15927
13
0.4%
371.50037000000003
13
0.4%
322.32294
11
0.4%
362.01022
11
0.4%
351.27477999999996
11
0.4%
265.69852000000003
11
0.4%
SMALLEST VALUES
83.775688
1
0.0%
115.39268
5
0.2%
119.80975
4
0.1%
135.61826000000002
4
0.1%
139.83472
1
0.0%
151.42674
2
0.1%
155.64321999999999
1
0.0%
167.23524
5
0.2%
171.45171000000002
1
0.0%
178.62665
7
0.2%
183.04373
6
0.2%
185.17302
1
0.0%
191.8779
1
0.0%
198.04745
3
0.1%
198.40669
7
0.2%
LARGEST VALUES
1473.8264
2
0.1%
1458.0179
1
0.0%
1442.2094
1
0.0%
1035.9133
1
0.0%
1032.1742
1
0.0%
1020.1049
1
0.0%
1016.3657
2
0.1%
1004.2964
2
0.1%
1000.5571
2
0.1%
988.48785
1
0.0%
984.74866
1
0.0%
983.17657
2
0.1%
972.67938
2
0.1%
923.8258099999999
1
0.0%
908.0173300000001
1
0.0%
Q_VSA_NEG
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_NEG
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_NEG:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_NEG
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_PNEG
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_PNEG
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_PNEG:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_PNEG
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_POL
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_POL
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_POL:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_POL
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
Q_VSA_POS
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Q_VSA_HYD
1.00
vdw_area
1.00
Kier1
0.99
chi0v
0.99
chi0
0.99
apol
0.99
vdw_vol
0.98
h_mr
0.98
mr
0.98
SMR
0.98
a_IC
0.98
a_heavy
0.98
Weight
0.98
a_count
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.76
lip_violation
0.72
a_don
0.66
lip_don
0.65
ast_violation_ext
0.63
opr_leadlike
0.63
ast_violation
0.62
lip_druglike
0.62
b_double
0.51
rings
0.50
opr_nring
0.41
ast_fraglike
0.37
ast_fraglike_ext
0.30
reactive
0.28
MOST FREQUENT VALUES
431.66402999999997
47
1.6%
388.88092
29
1.0%
339.03137000000004
18
0.6%
308.26639
18
0.6%
409.81039
17
0.6%
456.78342000000004
17
0.6%
326.99313
14
0.5%
404.68942000000004
14
0.5%
451.55048
13
0.4%
267.15927
13
0.4%
371.50037000000003
13
0.4%
322.32294
11
0.4%
362.01022
11
0.4%
351.27477999999996
11
0.4%
265.69852000000003
11
0.4%
SMALLEST VALUES
83.775688
1
0.0%
115.39268
5
0.2%
119.80975
4
0.1%
135.61826000000002
4
0.1%
139.83472
1
0.0%
151.42674
2
0.1%
155.64321999999999
1
0.0%
167.23524
5
0.2%
171.45171000000002
1
0.0%
178.62665
7
0.2%
183.04373
6
0.2%
185.17302
1
0.0%
191.8779
1
0.0%
198.04745
3
0.1%
198.40669
7
0.2%
LARGEST VALUES
1473.8264
2
0.1%
1458.0179
1
0.0%
1442.2094
1
0.0%
1035.9133
1
0.0%
1032.1742
1
0.0%
1020.1049
1
0.0%
1016.3657
2
0.1%
1004.2964
2
0.1%
1000.5571
2
0.1%
988.48785
1
0.0%
984.74866
1
0.0%
983.17657
2
0.1%
972.67938
2
0.1%
923.8258099999999
1
0.0%
908.0173300000001
1
0.0%
Q_VSA_PPOS
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Q_VSA_PPOS
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON Q_VSA_PPOS:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Q_VSA_PPOS
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
radius
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
diameter
0.99
VDistEq
0.94
Kier2
0.85
Kier1
0.83
KierA2
0.82
chi1
0.81
Q_VSA_HYD
0.81
Q_VSA_POS
0.81
vdw_area
0.81
Weight
0.81
a_IC
0.81
a_heavy
0.81
h_mr
0.81
chi0
0.81

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.70
ast_violation_ext
0.66
a_don
0.66
lip_don
0.66
lip_violation
0.64
ast_violation
0.60
opr_leadlike
0.56
lip_druglike
0.55
b_double
0.47
rings
0.42
opr_nring
0.38
ast_fraglike
0.38
ast_fraglike_ext
0.34
crossterm_pr_pr55
0.32
MOST FREQUENT VALUES
8
729
24.4%
9
629
21.1%
7
596
20.0%
10
357
12.0%
11
193
6.5%
6
146
4.9%
5
87
2.9%
12
79
2.6%
4
41
1.4%
13
40
1.3%
15
31
1.0%
3
20
0.7%
16
15
0.5%
14
12
0.4%
17
3
0.1%
SMALLEST VALUES
2
1
0.0%
3
20
0.7%
4
41
1.4%
5
87
2.9%
6
146
4.9%
7
596
20.0%
8
729
24.4%
9
629
21.1%
10
357
12.0%
11
193
6.5%
12
79
2.6%
13
40
1.3%
14
12
0.4%
15
31
1.0%
16
15
0.5%
LARGEST VALUES
29
2
0.1%
28
2
0.1%
18
1
0.0%
17
3
0.1%
16
15
0.5%
15
31
1.0%
14
12
0.4%
13
40
1.3%
12
79
2.6%
11
193
6.5%
10
357
12.0%
9
629
21.1%
8
729
24.4%
7
596
20.0%
6
146
4.9%
reactive
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,729
91%
2.29
1
255
9%
2.51
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
reactive
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON reactive:
b_double
0.13
opr_violation
0.09
a_don
0.08
rings
0.08
lip_violation
0.08
lip_don
0.08
lip_druglike
0.06
opr_nring
0.06
ast_violation_ext
0.02
ast_violation
0.02
a_nF
0.02
opr_leadlike
0.02
crossterm_pr_pr55
0.02
Protein_descriptors_HDAC11
0.02

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
reactive
CORRELATION RATIO WITH...
a_nO
0.44
chiral
0.39
h_emd_C
0.35
SMR_VSA3
0.35
KierA1
0.33
PEOE_PC-
0.32
PEOE_PC+
0.32
b_single
0.32
h_ema
0.31
a_acc
0.31
weinerPol
0.31
PEOE_VSA_PNEG
0.30
bpol
0.30
weinerPath
0.30
rings
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
3
1,168
39%
2.21
2
813
27%
2.42
4
627
21%
2.08
1
175
6%
2.62
5
137
5%
2.79
6
34
1%
2.85
0
17
1%
4.77
7
13
0%
2.19
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
rings
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON rings:
opr_nring
0.86
opr_violation
0.11
ast_violation
0.10
lip_violation
0.09
ast_violation_ext
0.08
opr_leadlike
0.06
lip_druglike
0.06
ast_fraglike
0.04
a_don
0.04
lip_don
0.04
b_double
0.04
crossterm_pr_pr55
0.03
Protein_descriptors_HDAC11
0.03
crossterm_pr_pr10
0.03

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
CORRELATION RATIO WITH...
opr_brigid
0.94
balabanJ
0.84
VAdjMa
0.76
zagreb
0.73
h_logS
0.72
weinerPol
0.72
a_hyd
0.71
b_ar
0.70
a_aro
0.70
VDistMa
0.70
b_heavy
0.70
h_log_pbo
0.69
chi1_C
0.69
a_nC
0.69
RPC+
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
RPC+
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON RPC+:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
RPC+
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
RPC-
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
RPC-
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON RPC-:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
RPC-
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
rsynth
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SlogP_VSA8
-0.35
SlogP_VSA7
0.33
BCUT_SMR_1
-0.29
BCUT_PEOE_2
0.27
BCUT_SLOGP_2
0.27
GCUT_SMR_0
0.27
BCUT_SMR_2
0.26
BCUT_SLOGP_3
-0.26
b_max1len
-0.25
opr_nrot
-0.25
KierFlex
-0.25
a_aro
0.25
b_ar
0.24
KierA3
-0.24

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.26
lip_don
0.25
ast_violation_ext
0.24
opr_nring
0.23
opr_violation
0.17
b_double
0.17
rings
0.16
a_nF
0.15
opr_leadlike
0.15
ast_violation
0.12
crossterm_pr_pr55
0.11
Protein_descriptors_HDAC11
0.11
crossterm_pr_pr10
0.11
crossterm_pr_pr19
0.11
MOST FREQUENT VALUES
0.5
123
4.1%
0.40000001
60
2.0%
0.33333334
56
1.9%
0.12121212
47
1.6%
0.45454547
45
1.5%
0.48148149
41
1.4%
0.60000002
37
1.2%
0.5714286
36
1.2%
0.42857143
35
1.2%
0.36000001
34
1.1%
0.41666666
34
1.1%
0.125
33
1.1%
0.58620691
30
1.0%
0.16666667
29
1.0%
0.23076923
29
1.0%
SMALLEST VALUES
0.018867925
1
0.0%
0.025641026
1
0.0%
0.044444446
1
0.0%
0.047619049000000004
1
0.0%
0.048780486
1
0.0%
0.050000000999999995
1
0.0%
0.051282052
3
0.1%
0.052631579000000005
13
0.4%
0.054054055
3
0.1%
0.064516127
2
0.1%
0.06666667
2
0.1%
0.068965517
1
0.0%
0.071428575
6
0.2%
0.073170729
1
0.0%
0.074074075
12
0.4%
LARGEST VALUES
0.88
2
0.1%
0.875
1
0.0%
0.86666667
2
0.1%
0.86206895
6
0.2%
0.85000002
1
0.0%
0.84848487
9
0.3%
0.84615386
1
0.0%
0.84210527
9
0.3%
0.83999997
2
0.1%
0.83333331
3
0.1%
0.82352942
5
0.2%
0.8214286
1
0.0%
0.81818181
2
0.1%
0.81481481
7
0.2%
0.8125
1
0.0%
SlogP
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
logP(o/w)
0.84
h_logP
0.82
h_logS
-0.78
logS
-0.76
h_logD
0.72
a_hyd
0.61
chi1_C
0.59
a_aro
0.57
b_ar
0.57
vsa_hyd
0.53
PEOE_VSA_HYD
0.53
SMR_VSA5
0.52
a_nC
0.52
VAdjMa
0.52

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.53
opr_nring
0.52
opr_violation
0.48
ast_violation
0.44
lip_violation
0.43
ast_violation_ext
0.40
opr_leadlike
0.38
lip_don
0.34
a_don
0.30
ast_fraglike
0.28
b_double
0.25
lip_druglike
0.24
ast_fraglike_ext
0.21
a_nCl
0.19
MOST FREQUENT VALUES
4.3470001
25
0.8%
4.2663698
22
0.7%
3.7188001
20
0.7%
4.0829701
18
0.6%
4.5876002
17
0.6%
4.1834002
17
0.6%
4.0443001
14
0.5%
2.5792999
14
0.5%
4.11517
13
0.4%
3.0214
12
0.4%
4.6676002
11
0.4%
2.3077400000000003
11
0.4%
5.237
10
0.3%
2.8597701
10
0.3%
4.3088002
10
0.3%
SMALLEST VALUES
-3.65323
1
0.0%
-3.2631299
1
0.0%
-2.8730298999999997
2
0.1%
-1.7524
1
0.0%
-1.73823
2
0.1%
-1.6005
3
0.1%
-1.0959999999999999
1
0.0%
-0.73479998
1
0.0%
-0.70590001
1
0.0%
-0.59030002
1
0.0%
-0.49149999
2
0.1%
-0.4883
1
0.0%
-0.31580001
1
0.0%
-0.11166
1
0.0%
0.14896999
1
0.0%
LARGEST VALUES
8.8652
2
0.1%
8.8093004
2
0.1%
7.505770200000001
1
0.0%
7.2983999000000015
1
0.0%
7.2886
1
0.0%
7.2584
1
0.0%
7.196899900000001
5
0.2%
7.114900099999999
3
0.1%
7.0637002
1
0.0%
7.0300398
1
0.0%
6.992099799999999
2
0.1%
6.970620200000001
1
0.0%
6.908299900000001
1
0.0%
6.8178
2
0.1%
6.789899799999999
2
0.1%
SlogP_VSA0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_donacc
0.83
TPSA
0.80
h_emd
0.80
vsa_pol
0.78
weinerPath
0.75
lip_acc
0.74
PEOE_PC+
0.74
a_acc
0.74
PEOE_PC-
-0.73
a_nO
0.72
KierA1
0.70
KierA2
0.70
PEOE_VSA_POL
0.70
KierFlex
0.70

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.85
a_don
0.84
b_double
0.61
lip_violation
0.53
opr_violation
0.49
lip_druglike
0.45
ast_violation_ext
0.39
opr_leadlike
0.39
ast_violation
0.33
reactive
0.27
rings
0.26
opr_nring
0.24
crossterm_pr_pr55
0.20
Protein_descriptors_HDAC11
0.20
MOST FREQUENT VALUES
20.625084
1,249
41.9%
38.635834
376
12.6%
31.624971000000002
231
7.7%
23.749397000000002
152
5.1%
42.624859
138
4.6%
49.635723
98
3.3%
46.010311
68
2.3%
56.646584
65
2.2%
34.749287
56
1.9%
74.657333
37
1.2%
60.635608999999995
35
1.2%
41.760146999999996
33
1.1%
53.52226999999999
31
1.0%
71.53302
27
0.9%
37.030079
25
0.8%
SMALLEST VALUES
18.01075
1
0.0%
20.625084
1,249
41.9%
22.143644000000002
3
0.1%
23.749397000000002
152
5.1%
24.671669
1
0.0%
26.873711
2
0.1%
31.624971000000002
231
7.7%
34.749287
56
1.9%
36.0215
1
0.0%
37.030079
25
0.8%
38.482624
6
0.2%
38.513313000000004
21
0.7%
38.635834
376
12.6%
41.250168
19
0.6%
41.760146999999996
33
1.1%
LARGEST VALUES
413.00217000000004
4
0.1%
183.84769
2
0.1%
151.17661999999999
7
0.2%
147.55121
14
0.5%
122.16599
11
0.4%
107.55452
8
0.3%
101.00975
11
0.4%
100.90727
1
0.0%
96.918251
2
0.1%
93.532799
1
0.0%
93.395309
3
0.1%
92.668083
3
0.1%
90.009865
5
0.2%
89.54377
10
0.3%
89.406288
19
0.6%
SlogP_VSA1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_nN
0.69
SMR_VSA4
0.66
h_ema
0.63
vsa_acc
0.60
lip_acc
0.59
TPSA
0.57
diameter
0.56
PEOE_RPC-
-0.55
vsa_pol
0.55
radius
0.55
vsa_other
0.54
a_acc
0.54
a_donacc
0.54
VDistEq
0.53

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.58
ast_violation
0.51
opr_violation
0.44
a_don
0.43
lip_don
0.43
a_nS
0.42
opr_leadlike
0.38
lip_violation
0.35
lip_druglike
0.34
opr_nring
0.31
rings
0.31
ast_fraglike
0.25
crossterm_pr_pr55
0.23
Protein_descriptors_HDAC11
0.23
MOST FREQUENT VALUES
5.2587838
303
10.2%
28.528318
157
5.3%
10.517567999999999
138
4.6%
23.943405
132
4.4%
27.06772
129
4.3%
38.829842
101
3.4%
63.50838100000001
101
3.4%
23.698362
96
3.2%
80.11013
92
3.1%
44.088627
89
3.0%
22.044313
75
2.5%
56.84059499999999
61
2.0%
8.3830976
59
2.0%
10.946394999999999
51
1.7%
13.274315
41
1.4%
SMALLEST VALUES
5.2587838
303
10.2%
7.1578764999999995
17
0.6%
8.0155315
1
0.0%
8.3830976
59
2.0%
10.088739
8
0.3%
10.28219
9
0.3%
10.343451
3
0.1%
10.517567999999999
138
4.6%
10.946394999999999
51
1.7%
11.198563
1
0.0%
11.210647
4
0.1%
12.344399000000001
8
0.3%
12.41666
4
0.1%
12.701181
1
0.0%
12.845488000000001
5
0.2%
LARGEST VALUES
143.77655
4
0.1%
140.1019
2
0.1%
115.09018999999999
1
0.0%
108.60618999999998
7
0.2%
103.80849
1
0.0%
101.24519000000001
1
0.0%
98.549706
2
0.1%
98.12088
4
0.1%
95.86174799999999
2
0.1%
93.75200699999999
2
0.1%
93.535965
4
0.1%
92.291412
1
0.0%
92.249481
10
0.3%
92.154213
2
0.1%
91.820656
14
0.5%
SlogP_VSA2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_POL
0.79
h_emd
0.78
PEOE_VSA_PNEG
0.77
SMR_VSA0
0.75
KierA2
0.74
b_single
0.74
opr_nrot
0.74
KierFlex
0.74
KierA1
0.74
Kier1
0.73
a_IC
0.73
h_emd_C
0.73
PEOE_PC-
-0.73
PEOE_PC+
0.73

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.70
lip_don
0.67
b_double
0.60
lip_violation
0.55
opr_violation
0.52
lip_druglike
0.47
ast_violation_ext
0.43
opr_leadlike
0.37
ast_violation
0.34
rings
0.26
reactive
0.26
opr_nring
0.16
crossterm_pr_pr55
0.16
Protein_descriptors_HDAC11
0.16
MOST FREQUENT VALUES
49.46632
1,102
36.9%
73.328537
416
13.9%
58.587337
173
5.8%
56.107059
121
4.1%
66.251846
87
2.9%
90.797073
85
2.8%
82.449554
78
2.6%
60.46620600000001
76
2.5%
77.310501
74
2.5%
101.17272
44
1.5%
70.233818
35
1.2%
67.70835100000001
34
1.1%
112.17261
34
1.1%
83.037376
33
1.1%
84.328423
31
1.0%
SMALLEST VALUES
49.46632
1,102
36.9%
53.019459
6
0.2%
53.448288
21
0.7%
55.93496700000001
19
0.6%
56.107059
121
4.1%
56.345585
19
0.6%
57.43025600000001
4
0.1%
58.587337
173
5.8%
58.883015
1
0.0%
60.089031000000006
3
0.1%
60.46620600000001
76
2.5%
60.685081000000004
23
0.8%
62.403618
6
0.2%
62.56930500000001
15
0.5%
64.019348
1
0.0%
LARGEST VALUES
359.70471000000003
4
0.1%
246.97413999999998
7
0.2%
239.95621
2
0.1%
216.09399
6
0.2%
196.12338
1
0.0%
194.55522
6
0.2%
194.41412
5
0.2%
192.51067
4
0.1%
185.49275
2
0.1%
184.70528000000002
5
0.2%
182.84283
2
0.1%
177.62859
4
0.1%
167.86098
2
0.1%
161.63054
4
0.1%
160.84306
20
0.7%
SlogP_VSA3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SMR_VSA6
0.85
BCUT_SLOGP_0
-0.48
PEOE_PC+
0.37
PEOE_VSA+2
0.37
PEOE_PC-
-0.37
h_pavgQ
0.36
bpol
0.36
b_single
0.36
PEOE_VSA_POS
0.36
opr_nrot
0.35
h_logD
-0.35
lip_acc
0.34
h_ema
0.34
KierA2
0.34

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.33
lip_don
0.31
a_don
0.31
ast_violation_ext
0.24
opr_violation
0.24
ast_violation
0.23
reactive
0.20
a_nF
0.19
lip_violation
0.18
rings
0.18
opr_leadlike
0.18
ast_fraglike
0.17
lip_druglike
0.17
Protein_descriptors_HDAC11
0.17
MOST FREQUENT VALUES
0.0
1,340
44.9%
18.439579000000002
681
22.8%
20.926257999999997
313
10.5%
36.879158000000004
202
6.8%
55.318732999999995
49
1.6%
39.365837
47
1.6%
41.852515999999994
44
1.5%
97.171249
25
0.8%
57.805416
24
0.8%
78.731674
20
0.7%
50.935009
19
0.6%
71.346283
17
0.6%
73.75831600000001
16
0.5%
43.824806
15
0.5%
47.661102
13
0.4%
SMALLEST VALUES
0.0
1,340
44.9%
3.185575
4
0.1%
17.030573
1
0.0%
17.233564
6
0.2%
18.01075
1
0.0%
18.439579000000002
681
22.8%
20.926257999999997
313
10.5%
21.625153
4
0.1%
22.984112
9
0.3%
24.098869
2
0.1%
25.385227
4
0.1%
26.836138000000002
1
0.0%
35.673140999999994
9
0.3%
36.450328999999996
1
0.0%
36.879158000000004
202
6.8%
LARGEST VALUES
184.39578
4
0.1%
118.09751000000001
6
0.2%
115.61083
1
0.0%
113.12415
3
0.1%
110.63747
1
0.0%
108.22543999999999
1
0.0%
107.95318999999999
3
0.1%
102.14461999999999
2
0.1%
101.87002
9
0.3%
97.171249
25
0.8%
94.68457
2
0.1%
92.272545
2
0.1%
92.197891
3
0.1%
90.991875
4
0.1%
89.785866
6
0.2%
SlogP_VSA4
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SMR_VSA3
0.32
PEOE_VSA-5
0.30
SMR_VSA0
0.28
SlogP_VSA0
0.27
a_nO
0.26
vsa_pol
0.25
vsa_acc
0.25
TPSA
0.23
weinerPol
0.23
SMR_VSA2
0.22
PEOE_PC-
-0.22
PEOE_VSA_PNEG
0.22
PEOE_PC+
0.22
zagreb
0.22

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.41
opr_nring
0.28
lip_don
0.26
rings
0.26
a_don
0.26
reactive
0.22
a_nS
0.20
lip_violation
0.16
ast_violation_ext
0.16
ast_violation
0.16
ast_fraglike
0.14
opr_violation
0.13
lip_druglike
0.12
a_nF
0.12
MOST FREQUENT VALUES
3.185575
486
16.3%
0.0
364
12.2%
6.37115
355
11.9%
9.5567245
156
5.2%
33.418941
106
3.6%
5.9423227
91
3.0%
26.618963
81
2.7%
10.781946000000001
77
2.6%
9.1278973
76
2.5%
30.233365999999997
75
2.5%
12.313473
64
2.1%
27.047790999999997
59
2.0%
36.604515
46
1.5%
4.4107962
44
1.5%
8.699069999999999
40
1.3%
SMALLEST VALUES
0.0
364
12.2%
0.92957383
11
0.4%
1.3584013000000001
2
0.1%
2.3279202000000003
31
1.0%
2.7567475
15
0.5%
3.185575
486
16.3%
4.115149
1
0.0%
4.4107962
44
1.5%
4.5439763
2
0.1%
5.019993299999999
17
0.6%
5.084667700000001
30
1.0%
5.4488211
4
0.1%
5.513495
33
1.1%
5.9423227
91
3.0%
6.37115
355
11.9%
LARGEST VALUES
70.02346
7
0.2%
65.486725
10
0.3%
60.46673199999999
2
0.1%
57.281158
3
0.1%
56.852329000000005
5
0.2%
56.423504
18
0.6%
54.095581
9
0.3%
53.66675600000001
3
0.1%
44.568455
7
0.2%
42.118010999999996
2
0.1%
41.195683
5
0.2%
41.131008
2
0.1%
41.015312
1
0.0%
40.157658000000005
7
0.2%
39.790092
6
0.2%
SlogP_VSA5
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA+3
0.47
SMR_VSA3
0.46
h_emd_C
0.45
a_nO
0.42
vsa_hyd
0.38
PEOE_VSA_HYD
0.37
SMR_VSA7
0.37
weinerPol
0.36
chi0v_C
0.36
chi0_C
0.36
PEOE_VSA_POS
0.36
PEOE_PC-
-0.35
PEOE_PC+
0.35
Q_VSA_HYD
0.35

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.25
lip_violation
0.25
rings
0.23
opr_nring
0.21
a_don
0.21
b_double
0.21
lip_don
0.20
opr_leadlike
0.19
crossterm_pr_pr55
0.19
a_nF
0.17
lip_druglike
0.15
reactive
0.15
Protein_descriptors_HDAC11
0.14
crossterm_pr_pr10
0.14
MOST FREQUENT VALUES
0.0
1,189
39.8%
18.868406
348
11.7%
35.383869
141
4.7%
37.736813
119
4.0%
54.252274
107
3.6%
3.185575
89
3.0%
16.785529999999998
81
2.7%
1.5507339
66
2.2%
32.897186
65
2.2%
9.7341213
61
2.0%
65.794373
49
1.6%
35.653934
41
1.4%
22.05398
37
1.2%
3.0551044999999997
36
1.2%
9.5073462
30
1.0%
SMALLEST VALUES
0.0
1,189
39.8%
1.5507339
66
2.2%
2.6726406000000003
5
0.2%
3.0551044999999997
36
1.2%
3.185575
89
3.0%
4.7363091
2
0.1%
6.2406793
1
0.0%
6.37115
4
0.1%
9.5073462
30
1.0%
9.5567245
2
0.1%
9.7341213
61
2.0%
12.633536
6
0.2%
16.663007999999998
26
0.9%
16.785529999999998
81
2.7%
18.868406
348
11.7%
LARGEST VALUES
168.83289
3
0.1%
143.88841000000002
2
0.1%
143.08621000000002
4
0.1%
141.53548
3
0.1%
120.74553999999999
1
0.0%
115.65895
1
0.0%
109.33718
1
0.0%
107.70233999999999
2
0.1%
106.1516
6
0.2%
103.66492
7
0.2%
103.53119000000001
2
0.1%
101.17825
8
0.3%
91.008911
1
0.0%
89.636139
15
0.5%
87.84835799999999
5
0.2%
SlogP_VSA6
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA-3
0.38
PEOE_VSA_FNEG
0.33
PEOE_VSA_FPOS
-0.33
PEOE_VSA-1
0.31
crossterm_pr_pr3
0.31
Protein_descriptors_HDAC4
0.31
crossterm_pr_pr20
0.31
crossterm_pr_pr12
0.31
GCUT_SLOGP_2
0.30
density
0.29
a_ICM
0.28
b_1rotR
-0.24
crossterm_pr_pr21
0.23
crossterm_pr_pr4
0.23

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_nF
0.47
a_nCl
0.41
crossterm_pr_pr55
0.35
Protein_descriptors_HDAC11
0.31
crossterm_pr_pr10
0.31
crossterm_pr_pr19
0.31
crossterm_pr_pr27
0.31
crossterm_pr_pr34
0.31
crossterm_pr_pr40
0.31
crossterm_pr_pr45
0.31
crossterm_pr_pr49
0.31
crossterm_pr_pr52
0.31
crossterm_pr_pr54
0.31
b_double
0.30
MOST FREQUENT VALUES
0.0
2,461
82.5%
4.4107962
226
7.6%
3.5006065000000004
142
4.8%
7.759516199999999
54
1.8%
8.8215923
51
1.7%
7.001213099999999
17
0.6%
13.232388
7
0.2%
11.260122
7
0.2%
2.6429517000000002
6
0.2%
3.0717792999999998
3
0.1%
16.581108
3
0.1%
12.322199000000001
3
0.1%
11.412009
3
0.1%
12.170312
1
0.0%
SMALLEST VALUES
0.0
2,461
82.5%
2.6429517000000002
6
0.2%
3.0717792999999998
3
0.1%
3.5006065000000004
142
4.8%
4.4107962
226
7.6%
7.001213099999999
17
0.6%
7.759516199999999
54
1.8%
8.8215923
51
1.7%
11.260122
7
0.2%
11.412009
3
0.1%
12.170312
1
0.0%
12.322199000000001
3
0.1%
13.232388
7
0.2%
16.581108
3
0.1%
LARGEST VALUES
16.581108
3
0.1%
13.232388
7
0.2%
12.322199000000001
3
0.1%
12.170312
1
0.0%
11.412009
3
0.1%
11.260122
7
0.2%
8.8215923
51
1.7%
7.759516199999999
54
1.8%
7.001213099999999
17
0.6%
4.4107962
226
7.6%
3.5006065000000004
142
4.8%
3.0717792999999998
3
0.1%
2.6429517000000002
6
0.2%
0.0
2,461
82.5%
SlogP_VSA7
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_aro
0.82
b_ar
0.81
h_log_pbo
0.78
SMR_VSA5
0.62
BCUT_SMR_1
-0.61
BCUT_SLOGP_2
0.59
BCUT_PEOE_2
0.59
BCUT_PEOE_1
-0.57
h_logS
-0.56
h_logP
0.56
BCUT_SMR_2
0.55
opr_brigid
0.53
chi1_C
0.50
h_logD
0.49

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_nring
0.54
rings
0.52
a_nS
0.28
lip_violation
0.20
opr_violation
0.20
lip_don
0.19
ast_violation
0.18
b_double
0.17
ast_violation_ext
0.17
a_don
0.16
ast_fraglike
0.14
opr_leadlike
0.12
lip_druglike
0.11
ast_fraglike_ext
0.09
MOST FREQUENT VALUES
52.929554
194
6.5%
70.572739
170
5.7%
158.78867
148
5.0%
141.14548
131
4.4%
88.215919
118
4.0%
123.50228999999999
111
3.7%
0.0
65
2.2%
180.72012
52
1.7%
163.07693
47
1.6%
90.248192
45
1.5%
105.85911000000002
43
1.4%
93.729416
42
1.4%
165.15981000000002
41
1.4%
168.59042
40
1.3%
163.50576999999998
38
1.3%
SMALLEST VALUES
0.0
65
2.2%
1.8591476999999998
11
0.4%
17.643185
10
0.3%
17.675158
4
0.1%
19.073504999999997
6
0.2%
19.502333
2
0.1%
20.644976
9
0.3%
34.889515
36
1.2%
35.286369
21
0.7%
35.318344
9
0.3%
37.318642
3
0.1%
37.430504
1
0.0%
50.705524
4
0.1%
51.102379
2
0.1%
52.500725
5
0.2%
LARGEST VALUES
457.43630999999993
1
0.0%
423.43643
4
0.1%
323.94846
1
0.0%
305.08005
4
0.1%
292.52155
5
0.2%
287.43689
1
0.0%
281.0589
1
0.0%
276.16486000000003
1
0.0%
276.10357999999997
5
0.2%
273.2243
8
0.3%
270.59009
3
0.1%
270.16125
7
0.2%
269.36487
5
0.2%
268.93604
7
0.2%
264.64777000000004
1
0.0%
SlogP_VSA8
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
opr_nrot
0.70
b_max1len
0.69
KierFlex
0.64
BCUT_SLOGP_3
0.63
BCUT_SMR_0
-0.63
KierA3
0.63
PEOE_VSA+5
0.62
b_single
0.62
KierA2
0.61
GCUT_SMR_0
-0.61
BCUT_PEOE_0
-0.61
a_nH
0.60
b_1rotN
0.58
Kier3
0.58

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.52
lip_don
0.51
opr_violation
0.44
ast_violation_ext
0.41
b_double
0.39
lip_violation
0.34
opr_leadlike
0.34
ast_violation
0.33
lip_druglike
0.32
opr_nring
0.25
rings
0.20
crossterm_pr_pr55
0.17
Protein_descriptors_HDAC11
0.17
crossterm_pr_pr10
0.17
MOST FREQUENT VALUES
17.643185
490
16.4%
94.342026
419
14.0%
113.21043
361
12.1%
56.605217
285
9.6%
75.473625
249
8.3%
0.0
183
6.1%
37.736813
102
3.4%
132.07883999999999
97
3.3%
18.868406
68
2.3%
36.511589
62
2.1%
130.85362
51
1.7%
111.98521000000001
50
1.7%
59.361965000000005
41
1.4%
150.94725
41
1.4%
169.81564
40
1.3%
SMALLEST VALUES
0.0
183
6.1%
3.9819686
1
0.0%
17.643185
490
16.4%
18.868406
68
2.3%
21.625153
12
0.4%
24.111833999999998
1
0.0%
34.85754
23
0.8%
35.286369
14
0.5%
36.511589
62
2.1%
37.736813
102
3.4%
41.718781
3
0.1%
52.500725
6
0.2%
52.929554
7
0.2%
53.589664
2
0.1%
53.725947999999995
18
0.6%
LARGEST VALUES
471.71014
2
0.1%
452.84174
1
0.0%
433.97333
1
0.0%
358.49969
1
0.0%
339.63129
3
0.1%
320.76288
6
0.2%
301.8945
2
0.1%
283.02609
6
0.2%
245.28928
1
0.0%
226.42087
4
0.1%
211.53442
6
0.2%
207.55246
11
0.4%
192.66603
6
0.2%
188.68405
37
1.2%
173.79762
1
0.0%
SlogP_VSA9
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SMR_VSA7
0.90
BCUT_PEOE_1
0.60
BCUT_SLOGP_1
0.60
BCUT_SMR_1
0.60
bpol
0.60
KierA1
0.59
b_single
0.58
vsa_hyd
0.58
GCUT_PEOE_2
-0.57
a_nH
0.56
chi0v
0.56
PEOE_VSA_HYD
0.55
BCUT_PEOE_2
-0.54
Q_VSA_HYD
0.54

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_violation
0.39
opr_violation
0.37
a_don
0.30
ast_violation
0.30
opr_leadlike
0.29
lip_don
0.28
ast_violation_ext
0.27
lip_druglike
0.27
a_nS
0.22
b_double
0.22
reactive
0.22
crossterm_pr_pr55
0.17
Protein_descriptors_HDAC11
0.17
crossterm_pr_pr10
0.17
MOST FREQUENT VALUES
0.0
276
9.2%
2.7567475
172
5.8%
18.439579000000002
157
5.3%
33.326015000000005
92
3.1%
5.2434282
84
2.8%
66.65203100000001
58
1.9%
51.765594
55
1.8%
69.408775
51
1.7%
36.082764000000005
51
1.7%
34.169861
50
1.7%
5.513495
48
1.6%
85.091606
43
1.4%
62.555374
42
1.4%
8.000175500000001
40
1.3%
10.486856
39
1.3%
SMALLEST VALUES
0.0
276
9.2%
2.3279202000000003
3
0.1%
2.7567475
172
5.8%
4.2270131
2
0.1%
4.655840400000001
16
0.5%
4.8146005
12
0.4%
5.084667700000001
8
0.3%
5.2434282
84
2.8%
5.513495
48
1.6%
6.9837604
1
0.0%
7.412587599999999
5
0.2%
7.841415400000001
3
0.1%
8.000175500000001
40
1.3%
9.899268199999998
4
0.1%
10.328095
7
0.2%
LARGEST VALUES
370.13931
13
0.4%
354.45648
2
0.1%
327.34949
6
0.2%
312.1196
2
0.1%
303.48727
8
0.3%
288.82751
1
0.0%
287.80444
2
0.1%
284.47845
2
0.1%
269.80322
3
0.1%
268.79562000000004
2
0.1%
254.93137000000002
3
0.1%
251.72168
3
0.1%
247.59929
2
0.1%
243.76897000000002
4
0.1%
238.52552999999997
4
0.1%
SMR
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
mr
1.00
h_mr
1.00
vdw_vol
1.00
chi1
0.99
a_heavy
0.99
chi0v
0.99
apol
0.99
b_heavy
0.99
chi0
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98
vdw_area
0.98
Weight
0.98
chi1v
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.78
lip_violation
0.73
a_don
0.65
ast_violation
0.65
ast_violation_ext
0.64
opr_leadlike
0.64
lip_don
0.63
lip_druglike
0.62
rings
0.62
opr_nring
0.54
b_double
0.48
ast_fraglike
0.40
ast_fraglike_ext
0.31
reactive
0.27
MOST FREQUENT VALUES
12.52332
25
0.8%
12.45202
22
0.7%
11.38982
20
0.7%
10.17385
18
0.6%
13.1979
17
0.6%
11.82682
17
0.6%
8.7931995
14
0.5%
11.83102
14
0.5%
13.799339999999999
13
0.4%
11.03374
12
0.4%
10.11772
11
0.4%
10.15432
10
0.3%
11.22969
10
0.3%
7.37852
10
0.3%
12.52028
10
0.3%
SMALLEST VALUES
1.64455
1
0.0%
2.56795
5
0.2%
3.2377601
1
0.0%
3.27055
4
0.1%
3.6994599999999997
1
0.0%
3.73225
4
0.1%
4.0917501000000005
2
0.1%
4.16116
1
0.0%
4.4077500999999994
7
0.2%
4.5534501
3
0.1%
4.6247501
2
0.1%
5.0151501
6
0.2%
5.1366501
7
0.2%
5.2799501
3
0.1%
5.3270998
1
0.0%
LARGEST VALUES
40.709759000000005
2
0.1%
40.248058
1
0.0%
39.786362
1
0.0%
28.240370000000002
1
0.0%
28.091749
1
0.0%
27.778669
1
0.0%
27.630051
2
0.1%
27.316971000000002
2
0.1%
27.16835
2
0.1%
26.85527
1
0.0%
26.70665
1
0.0%
26.570921000000002
2
0.1%
26.39357
2
0.1%
25.82093
1
0.0%
25.35923
1
0.0%
SMR_VSA0
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_POL
0.88
PEOE_VSA_PNEG
0.87
vsa_acc
0.84
vsa_pol
0.84
h_emd
0.80
a_nO
0.80
TPSA
0.80
PEOE_VSA-5
0.79
PEOE_VSA_PPOS
0.79
PEOE_PC-
-0.77
PEOE_PC+
0.77
lip_acc
0.76
SlogP_VSA2
0.75
PEOE_VSA+5
0.73

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.67
a_don
0.66
lip_don
0.66
ast_violation_ext
0.52
opr_violation
0.49
lip_violation
0.48
lip_druglike
0.45
opr_leadlike
0.40
ast_violation
0.34
reactive
0.29
rings
0.23
crossterm_pr_pr55
0.22
Protein_descriptors_HDAC11
0.21
crossterm_pr_pr10
0.21
MOST FREQUENT VALUES
23.862217
1,088
36.5%
47.724434
824
27.6%
71.586647
238
8.0%
58.724318999999994
135
4.5%
72.033905
107
3.6%
82.58654
75
2.5%
95.896118
49
1.6%
95.448868
43
1.4%
34.862103000000005
40
1.3%
119.31108
39
1.3%
57.458553
31
1.0%
58.943194999999996
28
0.9%
33.369564000000004
25
0.8%
81.32077
22
0.7%
57.231777
22
0.7%
SMALLEST VALUES
23.862217
1,088
36.5%
27.908802
1
0.0%
30.947832000000002
1
0.0%
33.369564000000004
25
0.8%
33.596336
21
0.7%
34.862103000000005
40
1.3%
35.080978
6
0.2%
38.033446999999995
9
0.3%
40.681953
2
0.1%
42.166595
8
0.3%
44.596226
13
0.4%
45.861992
13
0.4%
46.080868
5
0.2%
47.724434
824
27.6%
47.948059
1
0.0%
LARGEST VALUES
310.2088
4
0.1%
167.03551000000002
1
0.0%
150.4483
6
0.2%
148.58586
7
0.2%
143.17328999999998
5
0.2%
141.31085
4
0.1%
137.58598
2
0.1%
130.31097
6
0.2%
119.75833999999999
1
0.0%
119.31108
39
1.3%
117.44864
7
0.2%
115.5862
4
0.1%
113.72376000000001
6
0.2%
106.89601
4
0.1%
106.44875
18
0.6%
SMR_VSA1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
a_acc
0.67
h_ema
0.65
a_donacc
0.57
weinerPol
0.56
zagreb
0.56
Weight
0.56
PEOE_PC-
-0.56
PEOE_PC+
0.56
a_IC
0.56
b_heavy
0.55
chi0
0.54
a_heavy
0.54
chi1
0.54
lip_acc
0.53

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.48
lip_violation
0.46
rings
0.42
opr_nring
0.40
ast_violation
0.39
a_don
0.38
a_nF
0.37
lip_druglike
0.37
ast_violation_ext
0.37
opr_leadlike
0.36
lip_don
0.33
b_double
0.23
ast_fraglike
0.19
reactive
0.14
MOST FREQUENT VALUES
0.0
450
15.1%
33.571059999999996
188
6.3%
16.785529999999998
176
5.9%
3.1243138
142
4.8%
10.999887
140
4.7%
21.808937
136
4.6%
18.684622
123
4.1%
21.999775
100
3.4%
18.439579000000002
73
2.4%
44.570946
58
1.9%
48.531174
54
1.8%
34.980064
53
1.8%
14.124201999999999
46
1.5%
19.596598
46
1.5%
14.960114
43
1.4%
SMALLEST VALUES
0.0
450
15.1%
0.29333952
7
0.2%
1.5185606000000003
14
0.5%
1.8990928
26
0.9%
3.1243138
142
4.8%
3.4176532999999996
14
0.5%
5.0234065
13
0.4%
6.2486277
6
0.2%
8.1477203
1
0.0%
10.999887
140
4.7%
11.293227
4
0.1%
12.518449
2
0.1%
12.898981
9
0.3%
14.124201999999999
46
1.5%
14.601606
1
0.0%
LARGEST VALUES
168.15482
10
0.3%
147.52086
7
0.2%
139.64528
11
0.4%
133.17476000000002
4
0.1%
108.38753999999999
1
0.0%
99.30162800000001
2
0.1%
96.33654
7
0.2%
94.511124
4
0.1%
94.20043199999999
6
0.2%
93.42742199999999
1
0.0%
93.411514
2
0.1%
92.79890400000001
1
0.0%
91.454849
2
0.1%
90.899811
8
0.3%
90.550896
4
0.1%
SMR_VSA2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA-5
0.60
PEOE_VSA_PNEG
0.57
vsa_don
0.55
PEOE_VSA_POL
0.54
TPSA
0.53
vsa_pol
0.51
h_emd
0.49
PEOE_VSA_FPNEG
0.48
PEOE_VSA+5
0.47
lip_acc
0.47
PEOE_VSA_PPOS
0.46
SlogP_VSA0
0.45
vsa_acc
0.44
PEOE_VSA_FPOL
0.44

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.59
a_don
0.58
lip_don
0.56
lip_violation
0.39
lip_druglike
0.37
opr_violation
0.34
opr_leadlike
0.24
ast_violation_ext
0.23
ast_violation
0.19
reactive
0.14
a_nS
0.14
ast_fraglike
0.13
chiral_u
0.11
a_nF
0.11
MOST FREQUENT VALUES
46.229186999999996
1,008
33.8%
64.239937
361
12.1%
55.350204000000005
185
6.2%
49.3535
164
5.5%
50.63998
117
3.9%
47.779919
73
2.4%
81.025467
66
2.2%
63.014713
65
2.2%
82.250687
57
1.9%
59.461575
52
1.7%
64.471222
51
1.7%
68.650734
49
1.6%
49.284290000000006
47
1.6%
67.36425
34
1.1%
53.76429399999999
29
1.0%
SMALLEST VALUES
46.229186999999996
1,008
33.8%
46.922264
2
0.1%
47.779919
73
2.4%
47.888828000000004
2
0.1%
48.901825
2
0.1%
49.284290000000006
47
1.6%
49.298481
3
0.1%
49.3535
164
5.5%
49.414761
4
0.1%
50.63998
117
3.9%
52.190715999999995
3
0.1%
52.454967
9
0.3%
53.695087
2
0.1%
53.76429399999999
29
1.0%
53.988701
29
1.0%
LARGEST VALUES
217.14754
4
0.1%
181.67026
9
0.3%
157.96936000000002
5
0.2%
143.65741
2
0.1%
139.9586
12
0.4%
139.46851999999998
3
0.1%
133.83248999999998
5
0.2%
125.64667
8
0.3%
117.04697
1
0.0%
115.82175
5
0.2%
115.17493999999999
5
0.2%
112.83381000000001
1
0.0%
111.10463999999999
2
0.1%
110.46911999999999
1
0.0%
106.41068999999999
1
0.0%
SMR_VSA3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
weinerPol
0.73
chiral
0.70
a_nO
0.68
chi0v_C
0.67
a_hyd
0.67
zagreb
0.67
chi0_C
0.67
a_nC
0.66
h_emd_C
0.64
b_heavy
0.64
chi0
0.64
chi1v_C
0.63
b_count
0.63
a_heavy
0.63

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.54
lip_violation
0.54
opr_violation
0.53
a_don
0.50
opr_nring
0.48
lip_don
0.44
lip_druglike
0.39
opr_leadlike
0.36
reactive
0.35
ast_violation
0.27
ast_violation_ext
0.25
b_double
0.23
a_nS
0.17
b_triple
0.16
MOST FREQUENT VALUES
3.185575
268
9.0%
6.37115
237
7.9%
0.0
193
6.5%
9.5567245
94
3.2%
5.9423227
84
2.8%
8.429002800000001
71
2.4%
10.353119
70
2.3%
2.7567475
70
2.3%
7.1675434000000005
64
2.1%
11.614578
55
1.8%
12.7423
54
1.8%
11.02699
51
1.7%
23.326654
50
1.7%
8.699069999999999
46
1.5%
9.1278973
41
1.4%
SMALLEST VALUES
0.0
193
6.5%
0.92957383
5
0.2%
1.3584013000000001
1
0.0%
2.3279202000000003
9
0.3%
2.6429517000000002
4
0.1%
2.7168026000000003
1
0.0%
2.7567475
70
2.3%
3.0717792999999998
3
0.1%
3.185575
268
9.0%
3.5006065000000004
35
1.2%
3.6863214999999996
6
0.2%
3.9819686
21
0.7%
4.115149
22
0.7%
4.8146005
6
0.2%
5.019993299999999
11
0.4%
LARGEST VALUES
79.951714
8
0.3%
75.96974200000001
7
0.2%
69.943726
7
0.2%
58.487911
6
0.2%
54.505939
4
0.1%
49.410057
11
0.4%
45.550613
6
0.2%
44.16663
5
0.2%
37.81469
2
0.1%
36.166453999999995
1
0.0%
35.896435
2
0.1%
34.512405
3
0.1%
33.716011
2
0.1%
33.250946
2
0.1%
32.659946000000005
10
0.3%
SMR_VSA4
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
vsa_don
0.68
SlogP_VSA1
0.66
a_nN
0.61
b_rotN
0.58
diameter
0.58
radius
0.57
TPSA
0.57
vsa_pol
0.56
b_1rotN
0.56
Kier3
0.56
h_emd
0.55
Kier2
0.55
a_donacc
0.53
lip_acc
0.53

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.72
lip_don
0.72
b_double
0.53
ast_violation_ext
0.53
ast_violation
0.48
opr_violation
0.46
opr_leadlike
0.37
lip_violation
0.36
lip_druglike
0.31
Protein_descriptors_HDAC11
0.21
crossterm_pr_pr10
0.21
crossterm_pr_pr19
0.21
crossterm_pr_pr27
0.21
crossterm_pr_pr34
0.21
MOST FREQUENT VALUES
0.0
627
21.0%
20.767498
293
9.8%
4.7171015999999995
223
7.5%
2.7567475
184
6.2%
6.37115
118
4.0%
4.2882738
113
3.8%
9.801769300000002
91
3.0%
5.9423227
87
2.9%
44.925671
72
2.4%
1.8591476999999998
67
2.2%
5.513495
65
2.2%
23.524245999999998
59
2.0%
26.70982
57
1.9%
29.466568
39
1.3%
27.812519
37
1.2%
SMALLEST VALUES
0.0
627
21.0%
1.8591476999999998
67
2.2%
1.8990928
1
0.0%
2.2879751
3
0.1%
2.3279202000000003
4
0.1%
2.7567475
184
6.2%
2.7887216
2
0.1%
2.8286667000000003
11
0.4%
2.8899276
3
0.1%
3.185575
36
1.2%
3.3187550999999997
1
0.0%
3.6863214999999996
20
0.7%
3.8594465
1
0.0%
4.115149
4
0.1%
4.2882738
113
3.8%
LARGEST VALUES
238.97939
4
0.1%
85.520432
4
0.1%
80.803337
6
0.2%
70.143913
2
0.1%
65.794373
2
0.1%
55.99260699999999
18
0.6%
54.154773999999996
2
0.1%
54.093513
3
0.1%
53.664683999999994
8
0.3%
51.765594
3
0.1%
50.9692
2
0.1%
49.376411
2
0.1%
49.008846000000005
27
0.9%
47.722363
5
0.2%
47.682419
13
0.4%
SMR_VSA5
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi1_C
0.78
chi1v_C
0.71
a_nC
0.70
a_hyd
0.67
chi0_C
0.66
h_logS
-0.66
Kier2
0.65
mr
0.65
chi1
0.65
SMR
0.64
vdw_vol
0.64
VAdjMa
0.64
h_mr
0.64
b_heavy
0.64

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.57
rings
0.51
lip_violation
0.47
ast_violation_ext
0.46
opr_nring
0.46
ast_violation
0.44
opr_leadlike
0.44
lip_druglike
0.40
a_don
0.38
lip_don
0.37
b_double
0.29
ast_fraglike
0.29
a_nS
0.26
ast_fraglike_ext
0.24
MOST FREQUENT VALUES
158.78867
44
1.5%
196.52546999999998
42
1.4%
234.26227999999998
42
1.4%
166.13998
40
1.3%
290.00986
36
1.2%
178.45346
35
1.2%
265.44415
34
1.1%
196.09665
34
1.1%
200.5687
33
1.1%
183.78316999999998
32
1.1%
182.55795
31
1.0%
128.40317
30
1.0%
164.91476
30
1.0%
287.55939
29
1.0%
218.21187999999998
29
1.0%
SMALLEST VALUES
0.0
1
0.0%
37.736813
5
0.2%
50.500427
1
0.0%
52.929554
2
0.1%
56.605217
1
0.0%
69.368835
2
0.1%
70.572739
5
0.2%
71.36913299999999
6
0.2%
71.797958
1
0.0%
74.248398
4
0.1%
75.473625
8
0.3%
84.756012
1
0.0%
87.35826899999999
1
0.0%
88.215919
18
0.6%
89.012314
3
0.1%
LARGEST VALUES
614.01959
2
0.1%
595.15118
1
0.0%
576.28278
1
0.0%
532.90991
1
0.0%
517.77844
3
0.1%
498.91003
1
0.0%
419.28189
1
0.0%
400.41348
1
0.0%
396.72659
1
0.0%
380.67621
1
0.0%
380.30865
2
0.1%
378.59332
1
0.0%
366.27985
2
0.1%
363.06927
1
0.0%
363.03302
1
0.0%
SMR_VSA6
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SlogP_VSA3
0.85
BCUT_SLOGP_0
-0.48
h_pavgQ
0.47
PEOE_VSA_POS
0.41
bpol
0.40
b_single
0.40
a_nH
0.38
PEOE_VSA+2
0.37
PEOE_VSA+1
0.37
h_logD
-0.37
a_count
0.36
Q_VSA_HYD
0.36
Q_VSA_POS
0.36
vdw_area
0.36

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
b_double
0.52
a_don
0.36
lip_don
0.35
ast_violation_ext
0.26
ast_violation
0.23
Protein_descriptors_HDAC11
0.23
crossterm_pr_pr10
0.23
crossterm_pr_pr19
0.23
crossterm_pr_pr27
0.23
crossterm_pr_pr34
0.23
crossterm_pr_pr40
0.23
crossterm_pr_pr45
0.23
crossterm_pr_pr49
0.23
crossterm_pr_pr52
0.23
MOST FREQUENT VALUES
5.2587838
440
14.7%
10.517567999999999
330
11.1%
22.901968
290
9.7%
28.957146
193
6.5%
41.341545
107
3.6%
26.185041000000002
94
3.2%
23.698362
83
2.8%
31.443827000000002
69
2.3%
49.087009
60
2.0%
34.215927
55
1.8%
59.781124
54
1.8%
28.160751
51
1.7%
15.776351000000002
43
1.4%
76.995483
41
1.4%
46.60033
38
1.3%
SMALLEST VALUES
5.2587838
440
14.7%
8.0155315
1
0.0%
10.088739
2
0.1%
10.343451
3
0.1%
10.517567999999999
330
11.1%
10.946394999999999
25
0.8%
13.004248
22
0.7%
13.274315
5
0.2%
15.602235
1
0.0%
15.776351000000002
43
1.4%
16.205177
8
0.3%
17.834204
7
0.2%
18.263030999999998
22
0.7%
18.691858
11
0.4%
20.320885
4
0.1%
LARGEST VALUES
255.08789
4
0.1%
147.44896
1
0.0%
140.99948
5
0.2%
138.5128
1
0.0%
137.57299999999998
1
0.0%
131.31843999999998
1
0.0%
128.43854
2
0.1%
125.96963999999998
3
0.1%
125.17323999999999
2
0.1%
123.35628999999999
1
0.0%
120.19548999999999
2
0.1%
120.07321999999999
14
0.5%
118.848
1
0.0%
118.7238
1
0.0%
115.36553
1
0.0%
SMR_VSA7
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
SlogP_VSA9
0.90
BCUT_SMR_1
0.65
bpol
0.65
BCUT_PEOE_1
0.64
KierA1
0.62
b_single
0.62
BCUT_PEOE_2
-0.61
vsa_hyd
0.61
a_nH
0.61
GCUT_PEOE_2
-0.59
BCUT_SLOGP_1
0.59
PEOE_VSA_POS
0.59
PEOE_VSA_HYD
0.58
chi0v
0.58

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_violation
0.39
opr_violation
0.36
a_don
0.33
lip_don
0.31
reactive
0.28
ast_violation
0.27
ast_violation_ext
0.27
opr_leadlike
0.27
lip_druglike
0.24
b_double
0.23
a_nS
0.22
rings
0.18
crossterm_pr_pr55
0.17
Protein_descriptors_HDAC11
0.17
MOST FREQUENT VALUES
0.0
950
31.8%
33.326015000000005
279
9.3%
66.65203100000001
202
6.8%
35.383869
196
6.6%
32.897186
92
3.1%
99.978043
83
2.8%
39.148643
81
2.7%
62.555374
56
1.9%
66.223206
51
1.7%
31.277687
49
1.6%
17.214357
39
1.3%
6.6407428
39
1.3%
45.954094
38
1.3%
133.30406000000002
37
1.2%
65.794373
35
1.2%
SMALLEST VALUES
0.0
950
31.8%
6.6407428
39
1.3%
6.879267200000001
11
0.4%
8.583149
3
0.1%
16.785529999999998
1
0.0%
17.214357
39
1.3%
31.051962
4
0.1%
31.277687
49
1.6%
32.100792
2
0.1%
32.21954
3
0.1%
32.897186
92
3.1%
33.326015000000005
279
9.3%
35.383869
196
6.6%
37.91843
2
0.1%
38.331917
2
0.1%
LARGEST VALUES
436.92508
7
0.2%
434.43839
8
0.3%
334.88916
10
0.3%
332.4025
6
0.2%
268.66598999999997
1
0.0%
264.55978
3
0.1%
264.39517
2
0.1%
242.57959
6
0.2%
233.2821
13
0.4%
231.06915
3
0.1%
206.59683
2
0.1%
202.01395
10
0.3%
199.95609
14
0.5%
199.52727
2
0.1%
199.09843
1
0.0%
TPSA
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
lip_acc
0.97
vsa_pol
0.96
a_donacc
0.94
h_emd
0.93
PEOE_PC+
0.91
PEOE_PC-
-0.91
h_ema
0.91
PEOE_VSA_POL
0.88
a_acc
0.87
PEOE_VSA_PNEG
0.87
vsa_acc
0.86
a_IC
0.85
Kier1
0.84
Kier2
0.83

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.85
lip_don
0.85
opr_violation
0.67
lip_violation
0.66
ast_violation_ext
0.64
b_double
0.62
lip_druglike
0.60
opr_leadlike
0.55
ast_violation
0.54
rings
0.33
reactive
0.30
ast_fraglike
0.26
opr_nring
0.25
crossterm_pr_pr55
0.25
MOST FREQUENT VALUES
67.150002
153
5.1%
49.330002
114
3.8%
70.389999
114
3.8%
104.21
87
2.9%
109.14
72
2.4%
116.24
69
2.3%
78.43
69
2.3%
79.18
52
1.7%
106.12
51
1.7%
107.53
46
1.5%
69.639999
42
1.4%
62.220001
38
1.3%
105.6
37
1.2%
58.560001
35
1.2%
87.58000200000001
35
1.2%
SMALLEST VALUES
49.330002
114
3.8%
52.57
27
0.9%
54.259997999999996
11
0.4%
55.810001
3
0.1%
57.5
9
0.3%
58.560001
35
1.2%
60.740002000000004
1
0.0%
61.360001000000004
27
0.9%
61.799999
4
0.1%
62.220001
38
1.3%
64.599998
10
0.3%
65.120003
8
0.3%
66.290001
5
0.2%
66.400002
9
0.3%
67.150002
153
5.1%
LARGEST VALUES
621.59998
4
0.1%
287.66
2
0.1%
262.95001
7
0.2%
260.12
6
0.2%
258.51001
2
0.1%
251.89
7
0.2%
250.12
8
0.3%
235.25999
4
0.1%
232.42999
4
0.1%
230.82001
2
0.1%
217.2
1
0.0%
216.47
6
0.2%
188.52
5
0.2%
184.63
1
0.0%
183.72
10
0.3%
VAdjEq
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
VDistMa
-0.98
VAdjMa
-0.98
chi1
-0.90
vdw_vol
-0.90
SMR
-0.90
mr
-0.90
h_mr
-0.90
a_heavy
-0.90
b_heavy
-0.89
chi0
-0.89
Weight
-0.89
zagreb
-0.88
chi0v
-0.88
Q_VSA_HYD
-0.88

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.79
ast_violation
0.78
opr_violation
0.72
rings
0.64
opr_leadlike
0.62
lip_violation
0.60
ast_fraglike
0.59
opr_nring
0.57
a_don
0.54
lip_druglike
0.53
lip_don
0.53
ast_fraglike_ext
0.50
b_double
0.40
crossterm_pr_pr55
0.23
MOST FREQUENT VALUES
0.36097246
105
3.5%
0.41210872
104
3.5%
0.40063059
103
3.5%
0.37005648
99
3.3%
0.40176207
94
3.2%
0.41335541
93
3.1%
0.3796615
92
3.1%
0.38983503
78
2.6%
0.43739632
73
2.4%
0.35236704
72
2.4%
0.3442024
71
2.4%
0.43892586
68
2.3%
0.42571631
68
2.3%
0.39086518
65
2.2%
0.4530769
64
2.1%
SMALLEST VALUES
0.13395034
2
0.1%
0.13495472
1
0.0%
0.1359757
1
0.0%
0.18272723
1
0.0%
0.18471527
2
0.1%
0.18675137
4
0.1%
0.18883735
3
0.1%
0.19097513
3
0.1%
0.19116831
2
0.1%
0.19980873
1
0.0%
0.20222694
1
0.0%
0.20471023
2
0.1%
0.20726137
2
0.1%
0.21047498
2
0.1%
0.21319611
3
0.1%
LARGEST VALUES
0.90438145
1
0.0%
0.80309099
5
0.2%
0.7642045
4
0.1%
0.72192812
4
0.1%
0.71696228
1
0.0%
0.68403846
2
0.1%
0.68007702
1
0.0%
0.65002245
5
0.2%
0.64681429
8
0.3%
0.6193821999999999
6
0.2%
0.59167278
4
0.1%
0.59002918
2
0.1%
0.56650949
2
0.1%
0.56510133
9
0.3%
0.56466961
1
0.0%
VAdjMa
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
VDistMa
0.99
VAdjEq
-0.98
b_heavy
0.94
zagreb
0.94
chi1
0.93
a_heavy
0.93
vdw_vol
0.93
SMR
0.93
h_mr
0.93
mr
0.93
a_nC
0.92
Weight
0.91
chi0
0.91
chi0v
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
rings
0.76
ast_violation
0.74
opr_violation
0.72
ast_violation_ext
0.72
opr_nring
0.69
lip_violation
0.64
opr_leadlike
0.61
lip_druglike
0.56
ast_fraglike
0.55
a_don
0.52
lip_don
0.50
ast_fraglike_ext
0.43
b_double
0.36
reactive
0.19
MOST FREQUENT VALUES
6.0443940000000005
202
6.8%
6.0
196
6.6%
5.8579812
185
6.2%
5.807354900000001
185
6.2%
5.954196499999999
180
6.0%
5.7004399
178
6.0%
5.9068904
172
5.8%
5.7548876
163
5.5%
5.6438559999999995
132
4.4%
6.129283
131
4.4%
6.1699252
126
4.2%
6.0874629
115
3.9%
5.523562
93
3.1%
5.5849624
91
3.0%
6.209453599999999
90
3.0%
SMALLEST VALUES
3.0
1
0.0%
3.5849626000000003
5
0.2%
4.0
1
0.0%
4.1699252
5
0.2%
4.321928
12
0.4%
4.4594316
2
0.1%
4.5849624
5
0.2%
4.7004399
7
0.2%
4.807354900000001
4
0.1%
4.9068904
2
0.1%
5.0
13
0.4%
5.0874629
14
0.5%
5.1699252
26
0.9%
5.2479277
25
0.8%
5.321928
43
1.4%
LARGEST VALUES
7.8201789999999995
2
0.1%
7.8073549
1
0.0%
7.794416
1
0.0%
7.321928
1
0.0%
7.3037806
2
0.1%
7.2854023
4
0.1%
7.2667866
3
0.1%
7.2479277
3
0.1%
7.209453599999999
3
0.1%
7.1898246
1
0.0%
7.169925200000001
2
0.1%
7.149746899999999
2
0.1%
7.0660892
1
0.0%
7.0443940000000005
4
0.1%
7.022367999999999
5
0.2%
VDistEq
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
diameter
0.95
radius
0.94
VAdjEq
-0.82
Kier2
0.79
VDistMa
0.77
VAdjMa
0.77
Kier1
0.76
b_1rotN
0.76
KierA2
0.76
b_rotN
0.75
chi1
0.75
h_mr
0.75
Weight
0.75
Q_VSA_HYD
0.75

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
ast_violation_ext
0.75
ast_violation
0.68
opr_violation
0.64
a_don
0.60
lip_don
0.60
lip_violation
0.55
opr_leadlike
0.53
ast_fraglike
0.51
ast_fraglike_ext
0.48
lip_druglike
0.47
rings
0.44
opr_nring
0.41
b_double
0.39
crossterm_pr_pr55
0.36
MOST FREQUENT VALUES
3.7832594
47
1.6%
4.0617471
17
0.6%
3.5625324000000003
14
0.5%
4.0452971
13
0.4%
3.684757
12
0.4%
3.5024412000000003
12
0.4%
3.4442904000000003
11
0.4%
4.0448704
11
0.4%
4.017619600000001
11
0.4%
3.9887781
10
0.3%
3.6775038
10
0.3%
3.5151911
10
0.3%
4.0917687
10
0.3%
3.99703
10
0.3%
3.8329272000000003
9
0.3%
SMALLEST VALUES
1.5219281
1
0.0%
2.1359327
5
0.2%
2.1673459999999998
4
0.1%
2.3375406
4
0.1%
2.4886103
7
0.2%
2.5303044
2
0.1%
2.5376327
4
0.1%
2.5392926
1
0.0%
2.5838199
2
0.1%
2.5954134
2
0.1%
2.5974009
1
0.0%
2.6073956000000003
1
0.0%
2.6139247
1
0.0%
2.6291373
1
0.0%
2.6296334
1
0.0%
LARGEST VALUES
5.492792099999999
2
0.1%
5.467894599999999
1
0.0%
5.4431481
1
0.0%
4.9565415
1
0.0%
4.7781067
1
0.0%
4.7734442
1
0.0%
4.7401824
1
0.0%
4.732481
1
0.0%
4.728364900000001
1
0.0%
4.6947007
2
0.1%
4.691781
2
0.1%
4.6859236
2
0.1%
4.6824651
2
0.1%
4.6772566
1
0.0%
4.66505
2
0.1%
VDistMa
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
VAdjMa
0.99
VAdjEq
-0.98
b_heavy
0.95
chi1
0.95
vdw_vol
0.94
a_heavy
0.94
SMR
0.94
h_mr
0.94
mr
0.94
zagreb
0.94
chi0
0.93
Weight
0.93
a_nC
0.92
chi0v
0.92

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.75
ast_violation
0.74
ast_violation_ext
0.73
rings
0.70
lip_violation
0.65
opr_leadlike
0.63
opr_nring
0.63
lip_druglike
0.57
a_don
0.55
ast_fraglike
0.54
lip_don
0.53
ast_fraglike_ext
0.43
b_double
0.39
reactive
0.20
MOST FREQUENT VALUES
9.8073921
47
1.6%
9.4646168
17
0.6%
8.586333300000002
14
0.5%
9.5641794
13
0.4%
8.286748900000001
12
0.4%
8.4158096
12
0.4%
9.0317993
11
0.4%
9.6639795
11
0.4%
9.2292051
11
0.4%
9.925795599999999
10
0.3%
10.110619
10
0.3%
9.147040400000002
10
0.3%
9.334795
10
0.3%
9.0884218
10
0.3%
8.816806800000002
9
0.3%
SMALLEST VALUES
4.1971598
1
0.0%
5.2161745999999996
5
0.2%
5.945872799999999
1
0.0%
6.0009203
4
0.1%
6.2503233
1
0.0%
6.3134742
4
0.1%
6.5256462
1
0.0%
6.5752826
2
0.1%
6.606655099999999
7
0.2%
6.8152671
5
0.2%
7.0376339
6
0.2%
7.222599000000001
1
0.0%
7.2449937
1
0.0%
7.256242299999999
3
0.1%
7.4433508
2
0.1%
LARGEST VALUES
13.239689000000002
2
0.1%
13.215701999999999
1
0.0%
13.191466
1
0.0%
12.176131
1
0.0%
12.145143
1
0.0%
12.143933
1
0.0%
12.112473
2
0.1%
12.111392
2
0.1%
12.079406
2
0.1%
12.078466
1
0.0%
12.045894
1
0.0%
12.045103999999998
2
0.1%
12.003553
2
0.1%
11.872689999999999
1
0.0%
11.835664999999999
1
0.0%
vdw_area
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Q_VSA_HYD
1.00
Q_VSA_POS
1.00
Kier1
0.99
chi0v
0.99
chi0
0.99
apol
0.99
vdw_vol
0.98
h_mr
0.98
mr
0.98
SMR
0.98
a_IC
0.98
a_heavy
0.98
Weight
0.98
a_count
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.76
lip_violation
0.72
a_don
0.66
lip_don
0.65
ast_violation_ext
0.63
opr_leadlike
0.63
ast_violation
0.62
lip_druglike
0.62
b_double
0.51
rings
0.50
opr_nring
0.41
ast_fraglike
0.37
ast_fraglike_ext
0.30
reactive
0.28
MOST FREQUENT VALUES
431.66402999999997
47
1.6%
388.88092
29
1.0%
339.03137000000004
18
0.6%
308.26639
18
0.6%
409.81039
17
0.6%
456.78342000000004
17
0.6%
326.99313
14
0.5%
404.68942000000004
14
0.5%
451.55048
13
0.4%
267.15927
13
0.4%
371.50037000000003
13
0.4%
322.32294
11
0.4%
362.01022
11
0.4%
351.27477999999996
11
0.4%
265.69852000000003
11
0.4%
SMALLEST VALUES
83.775688
1
0.0%
115.39268
5
0.2%
119.80975
4
0.1%
135.61826000000002
4
0.1%
139.83472
1
0.0%
151.42674
2
0.1%
155.64321999999999
1
0.0%
167.23524
5
0.2%
171.45171000000002
1
0.0%
178.62665
7
0.2%
183.04373
6
0.2%
185.17302
1
0.0%
191.8779
1
0.0%
198.04745
3
0.1%
198.40669
7
0.2%
LARGEST VALUES
1473.8264
2
0.1%
1458.0179
1
0.0%
1442.2094
1
0.0%
1035.9133
1
0.0%
1032.1742
1
0.0%
1020.1049
1
0.0%
1016.3657
2
0.1%
1004.2964
2
0.1%
1000.5571
2
0.1%
988.48785
1
0.0%
984.74866
1
0.0%
983.17657
2
0.1%
972.67938
2
0.1%
923.8258099999999
1
0.0%
908.0173300000001
1
0.0%
vdw_vol
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
mr
1.00
h_mr
1.00
SMR
1.00
a_heavy
1.00
chi1
0.99
chi0
0.99
b_heavy
0.99
chi0v
0.99
apol
0.99
Weight
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98
vdw_area
0.98
zagreb
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.78
lip_violation
0.74
a_don
0.65
opr_leadlike
0.64
ast_violation
0.64
ast_violation_ext
0.63
lip_druglike
0.63
rings
0.63
lip_don
0.63
opr_nring
0.54
b_double
0.47
ast_fraglike
0.39
ast_fraglike_ext
0.30
reactive
0.27
MOST FREQUENT VALUES
524.09924
47
1.6%
474.66610999999995
29
1.0%
425.06464000000005
18
0.6%
371.37296000000003
18
0.6%
550.73999
17
0.6%
499.28668
17
0.6%
362.43332000000004
14
0.5%
493.19357
14
0.5%
573.42865
13
0.4%
304.30161
13
0.4%
438.27945
12
0.4%
456.01592999999997
12
0.4%
467.35059
11
0.4%
408.42789
11
0.4%
324.54028
11
0.4%
SMALLEST VALUES
70.483032
1
0.0%
107.53798
5
0.2%
135.91893000000002
1
0.0%
136.59853999999999
4
0.1%
154.4464
1
0.0%
155.12601999999998
4
0.1%
172.97388
1
0.0%
173.65348999999998
2
0.1%
181.64786999999998
7
0.2%
192.18097
5
0.2%
210.70844
6
0.2%
221.36982999999998
3
0.1%
222.43157999999997
1
0.0%
227.51958
1
0.0%
228.98772999999997
7
0.2%
LARGEST VALUES
1686.0884
2
0.1%
1667.5609
1
0.0%
1649.0334
1
0.0%
1201.1931
1
0.0%
1186.9563
1
0.0%
1182.6656
1
0.0%
1168.4288
2
0.1%
1164.1382
2
0.1%
1149.9014
2
0.1%
1145.6107
1
0.0%
1131.3739
1
0.0%
1127.0833
2
0.1%
1120.718
2
0.1%
1092.4324
1
0.0%
1073.9049
1
0.0%
vsa_acc
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
vsa_pol
0.92
TPSA
0.86
lip_acc
0.85
SMR_VSA0
0.84
h_ema
0.81
PEOE_VSA_POL
0.79
h_emd
0.78
PEOE_PC-
-0.78
PEOE_VSA_PNEG
0.78
PEOE_PC+
0.78
a_donacc
0.77
a_acc
0.76
a_IC
0.72
Kier2
0.71

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.63
a_don
0.63
b_double
0.62
ast_violation_ext
0.61
opr_violation
0.56
lip_violation
0.53
lip_druglike
0.50
opr_leadlike
0.48
ast_violation
0.43
rings
0.26
a_nS
0.25
ast_fraglike
0.24
crossterm_pr_pr55
0.21
Protein_descriptors_HDAC11
0.21
MOST FREQUENT VALUES
13.566920999999999
316
10.6%
19.249496
313
10.5%
27.133841999999998
207
6.9%
38.498993
178
6.0%
40.700764
144
4.8%
32.816418
131
4.4%
29.637597999999997
108
3.6%
22.987961
106
3.6%
49.714386
101
3.4%
24.932074
77
2.6%
45.583443
66
2.2%
34.645111
57
1.9%
32.141354
52
1.7%
27.435829
51
1.7%
16.070677
49
1.6%
SMALLEST VALUES
13.566920999999999
316
10.6%
16.070677
49
1.6%
18.574432
33
1.1%
19.249496
313
10.5%
21.642128
2
0.1%
21.753254000000002
44
1.5%
22.987961
106
3.6%
23.581945
1
0.0%
24.25701
6
0.2%
24.452182999999998
17
0.6%
24.932074
77
2.6%
25.491716
8
0.3%
26.085701
1
0.0%
26.760765000000003
2
0.1%
26.955938
19
0.6%
LARGEST VALUES
227.21364
4
0.1%
113.39001
5
0.2%
111.92578999999999
1
0.0%
98.358864
9
0.3%
94.96844499999999
1
0.0%
92.33152
3
0.1%
91.441582
2
0.1%
90.042068
6
0.2%
89.827766
5
0.2%
84.35949699999999
7
0.2%
81.401527
3
0.1%
78.303841
7
0.2%
76.757736
9
0.3%
76.260841
1
0.0%
73.51718100000001
2
0.1%
vsa_acid
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,984
100%
2.31
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
vsa_acid
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON vsa_acid:
ast_fraglike
1.00
ast_fraglike_ext
1.00
ast_violation
1.00
ast_violation_ext
1.00
a_acid
1.00
a_base
1.00
a_don
1.00
a_nB
1.00
a_nBr
1.00
a_nCl
1.00
a_nF
1.00
a_nI
1.00
a_nP
1.00
a_nS
1.00

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
vsa_acid
CORRELATION RATIO WITH...
pIC50
0.00
apol
0.00
a_acc
0.00
a_aro
0.00
a_count
0.00
a_donacc
0.00
a_heavy
0.00
a_hyd
0.00
a_IC
0.00
a_ICM
0.00
a_nC
0.00
a_nH
0.00
a_nN
0.00
a_nO
0.00
vsa_base
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
0
2,980
99%
2.31
17
3
0%
4.36
23
1
0%
4.15
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
vsa_base
PROVIDES INFORMATION ON...
a_acid
1.00
a_base
1.00
a_nB
1.00
a_nP
1.00
FCharge
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00

THESE FEATURES GIVE INFORMATION
ON vsa_base:
a_base
1.00
FCharge
1.00
opr_nring
0.65
rings
0.65
ast_violation_ext
0.42
lip_don
0.39
ast_fraglike
0.35
ast_violation
0.35
Protein_descriptors_HDAC11
0.25
crossterm_pr_pr10
0.25
crossterm_pr_pr19
0.25
crossterm_pr_pr27
0.25
crossterm_pr_pr34
0.25
crossterm_pr_pr40
0.25

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
vsa_base
CORRELATION RATIO WITH...
GCUT_SLOGP_0
0.72
PEOE_VSA_FPPOS
0.29
GCUT_SMR_0
0.27
h_logP
0.27
h_logS
0.22
PEOE_VSA+6
0.20
BCUT_SLOGP_0
0.20
balabanJ
0.17
PEOE_RPC-
0.16
h_logD
0.16
h_emd
0.16
PEOE_VSA_FPOL
0.15
PEOE_VSA_FHYD
0.15
VAdjMa
0.15
vsa_don
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
h_emd
0.72
vsa_pol
0.71
TPSA
0.70
SMR_VSA4
0.68
PEOE_VSA_POL
0.66
PEOE_VSA+5
0.64
PEOE_VSA_PPOS
0.64
b_rotN
0.62
PEOE_VSA-5
0.61
Kier3
0.61
a_nN
0.60
PEOE_VSA_PNEG
0.60
a_donacc
0.60
lip_acc
0.60

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.88
a_don
0.86
b_double
0.59
ast_violation_ext
0.49
opr_violation
0.43
lip_violation
0.41
ast_violation
0.39
lip_druglike
0.37
opr_leadlike
0.36
Protein_descriptors_HDAC11
0.18
crossterm_pr_pr10
0.18
crossterm_pr_pr19
0.18
crossterm_pr_pr27
0.18
crossterm_pr_pr34
0.18
MOST FREQUENT VALUES
10.885261999999999
1,336
44.8%
16.567839000000003
939
31.5%
22.250414000000003
420
14.1%
27.932989000000003
60
2.0%
18.960468
44
1.5%
20.306301
28
0.9%
34.310326
27
0.9%
21.770523
22
0.7%
33.615565999999994
18
0.6%
28.627752
18
0.6%
24.643044
13
0.4%
36.702957
12
0.4%
45.67548
10
0.3%
27.4531
9
0.3%
51.358055
8
0.3%
SMALLEST VALUES
5.682576200000001
1
0.0%
10.885261999999999
1,336
44.8%
11.365152
1
0.0%
16.567839000000003
939
31.5%
18.960468
44
1.5%
20.306301
28
0.9%
21.770523
22
0.7%
22.250414000000003
420
14.1%
24.643044
13
0.4%
27.4531
9
0.3%
27.932989000000003
60
2.0%
28.627752
18
0.6%
30.325621
1
0.0%
33.615565999999994
18
0.6%
34.310326
27
0.9%
LARGEST VALUES
115.25591000000001
4
0.1%
69.100548
2
0.1%
51.358055
8
0.3%
45.67548
10
0.3%
39.992905
3
0.1%
39.298140999999994
8
0.3%
36.702957
12
0.4%
34.310326
27
0.9%
33.615565999999994
18
0.6%
30.325621
1
0.0%
28.627752
18
0.6%
27.932989000000003
60
2.0%
27.4531
9
0.3%
24.643044
13
0.4%
22.250414000000003
420
14.1%
vsa_hyd
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
PEOE_VSA_HYD
0.98
chi0v_C
0.97
chi0_C
0.97
apol
0.95
a_nC
0.95
a_hyd
0.94
Q_VSA_HYD
0.94
Q_VSA_POS
0.94
vdw_area
0.94
vdw_vol
0.94
SMR
0.94
chi0v
0.94
mr
0.94
b_count
0.94

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.69
lip_violation
0.64
opr_leadlike
0.56
ast_violation
0.56
rings
0.54
ast_violation_ext
0.53
lip_druglike
0.52
a_don
0.50
lip_don
0.48
opr_nring
0.45
b_double
0.37
ast_fraglike
0.36
ast_fraglike_ext
0.29
reactive
0.24
MOST FREQUENT VALUES
337.58648999999997
47
1.6%
279.73413
32
1.1%
250.60045
26
0.9%
275.2431
24
0.8%
193.9921
22
0.7%
254.81668
20
0.7%
189.50108
20
0.7%
300.6636
17
0.6%
334.0697
17
0.6%
295.5426
16
0.5%
284.22513
15
0.5%
180.59299
14
0.5%
354.29413
13
0.4%
241.29066
13
0.4%
278.63412
13
0.4%
SMALLEST VALUES
29.408448999999997
1
0.0%
61.02544
5
0.2%
65.44252
4
0.1%
67.724991
1
0.0%
81.251015
4
0.1%
83.533485
1
0.0%
87.950562
1
0.0%
90.233032
1
0.0%
97.05950899999999
2
0.1%
99.26804399999999
2
0.1%
99.34198
1
0.0%
106.04153000000001
1
0.0%
112.868
5
0.2%
124.25941
7
0.2%
128.08659
1
0.0%
LARGEST VALUES
863.8869
2
0.1%
848.07843
1
0.0%
832.2699
1
0.0%
814.67682
1
0.0%
807.45374
1
0.0%
798.86829
2
0.1%
791.64526
1
0.0%
783.05981
2
0.1%
775.83673
2
0.1%
767.25134
1
0.0%
760.0282599999999
1
0.0%
756.06073
2
0.1%
744.21979
2
0.1%
710.6344
1
0.0%
694.82593
1
0.0%
vsa_other
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
TPSA
0.77
lip_acc
0.76
PEOE_VSA_POL
0.74
PEOE_VSA_PPOS
0.73
PEOE_PC-
-0.71
PEOE_PC+
0.71
h_ema
0.70
vsa_pol
0.68
PEOE_VSA_PNEG
0.68
vsa_acc
0.67
h_emd
0.66
a_nN
0.65
a_donacc
0.65
PEOE_VSA-5
0.64

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.59
lip_don
0.58
ast_violation_ext
0.54
b_double
0.52
opr_violation
0.51
lip_violation
0.51
lip_druglike
0.49
ast_violation
0.44
opr_leadlike
0.43
rings
0.28
reactive
0.25
Protein_descriptors_HDAC11
0.23
crossterm_pr_pr10
0.23
crossterm_pr_pr19
0.23
MOST FREQUENT VALUES
25.899061
560
18.8%
12.949531
546
18.3%
24.140093
320
10.7%
38.848595
156
5.2%
23.055139999999998
91
3.0%
61.880142000000006
86
2.9%
48.930611
84
2.8%
37.089626
70
2.3%
35.330658
65
2.2%
21.408051
63
2.1%
32.598614000000005
39
1.3%
64.747658
32
1.1%
47.602329
31
1.0%
51.798122
31
1.0%
46.198566
26
0.9%
SMALLEST VALUES
12.949531
546
18.3%
15.453287
4
0.1%
19.462329999999998
5
0.2%
21.408051
63
2.1%
23.055139999999998
91
3.0%
24.140093
320
10.7%
25.899061
560
18.8%
26.116156
1
0.0%
27.310409999999997
17
0.6%
27.65803
4
0.1%
27.682688
1
0.0%
28.402819
4
0.1%
28.631104999999998
20
0.7%
30.161787
25
0.8%
30.390074
21
0.7%
LARGEST VALUES
179.53447
4
0.1%
95.137726
2
0.1%
93.800896
1
0.0%
93.378761
8
0.3%
90.646713
1
0.0%
89.732025
2
0.1%
85.90835600000001
2
0.1%
85.450661
2
0.1%
84.91169000000001
2
0.1%
82.255127
2
0.1%
82.179649
2
0.1%
81.73162099999999
6
0.2%
80.81163000000001
9
0.3%
79.528481
5
0.2%
78.131371
1
0.0%
vsa_pol
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
TPSA
0.96
vsa_acc
0.92
lip_acc
0.91
a_donacc
0.91
h_emd
0.90
h_ema
0.86
PEOE_VSA_POL
0.86
PEOE_VSA_PNEG
0.84
SMR_VSA0
0.84
PEOE_PC+
0.83
PEOE_PC-
-0.83
a_acc
0.83
a_IC
0.80
Kier2
0.79

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
lip_don
0.85
a_don
0.84
b_double
0.67
ast_violation_ext
0.62
lip_violation
0.61
opr_violation
0.61
lip_druglike
0.55
opr_leadlike
0.50
ast_violation
0.48
rings
0.27
Protein_descriptors_HDAC11
0.23
crossterm_pr_pr10
0.23
crossterm_pr_pr19
0.23
crossterm_pr_pr27
0.23
MOST FREQUENT VALUES
47.100285
314
10.5%
41.417706
166
5.6%
52.78286
157
5.3%
60.667202
131
4.4%
72.03235600000001
127
4.3%
50.838745
94
3.2%
54.984627
88
2.9%
74.234123
83
2.8%
66.349777
83
2.8%
77.714935
82
2.7%
83.247749
73
2.4%
79.916702
63
2.1%
55.286613
51
1.7%
57.488383999999996
51
1.7%
68.178474
51
1.7%
SMALLEST VALUES
41.417706
166
5.6%
43.921463
38
1.3%
46.42522
18
0.6%
47.100285
314
10.5%
49.492912
2
0.1%
49.604038
32
1.1%
50.838745
94
3.2%
51.432732
1
0.0%
52.107796
2
0.1%
52.302966999999995
16
0.5%
52.78286
157
5.3%
53.342503
8
0.3%
53.936489
1
0.0%
54.611549
2
0.1%
54.806725
18
0.6%
LARGEST VALUES
430.40502999999995
4
0.1%
200.28401000000002
2
0.1%
172.16054
7
0.2%
166.77283
8
0.3%
160.42231999999998
7
0.2%
157.91855
6
0.2%
157.23016
1
0.0%
154.58751
2
0.1%
152.91103999999999
4
0.1%
152.60594
5
0.2%
151.14172
1
0.0%
150.40729
4
0.1%
147.07625
2
0.1%
131.89223
9
0.3%
131.45978
6
0.2%
Weight
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
chi0
0.99
a_heavy
0.99
chi0v
0.99
chi1
0.99
h_mr
0.98
vdw_vol
0.98
mr
0.98
a_IC
0.98
Kier1
0.98
b_heavy
0.98
SMR
0.98
chi1v
0.98
Q_VSA_HYD
0.98
Q_VSA_POS
0.98

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.79
lip_violation
0.75
a_don
0.68
ast_violation_ext
0.66
lip_don
0.66
opr_leadlike
0.65
ast_violation
0.64
lip_druglike
0.64
rings
0.59
opr_nring
0.50
b_double
0.48
ast_fraglike
0.39
ast_fraglike_ext
0.30
reactive
0.29
MOST FREQUENT VALUES
349.43399
30
1.0%
456.539
26
0.9%
454.52297999999996
25
0.8%
364.44901
21
0.7%
407.474
20
0.7%
439.491
17
0.6%
530.42297
17
0.6%
345.39898999999997
16
0.5%
302.37399
14
0.5%
421.50097999999997
14
0.5%
264.32498
13
0.4%
375.47198
13
0.4%
393.44299
13
0.4%
485.53997999999996
13
0.4%
333.38800000000003
12
0.4%
SMALLEST VALUES
75.067001
1
0.0%
103.12099
5
0.2%
127.14299999999999
4
0.1%
133.17099
1
0.0%
141.17
4
0.1%
147.19799999999998
1
0.0%
151.16499
2
0.1%
159.22899999999998
7
0.2%
161.22499
1
0.0%
163.17598999999998
2
0.1%
165.192
3
0.1%
179.21899
6
0.2%
189.21399
1
0.0%
193.202
3
0.1%
203.20099
1
0.0%
LARGEST VALUES
1546.8939
2
0.1%
1532.8669
1
0.0%
1518.84
1
0.0%
1076.38
1
0.0%
1063.385
1
0.0%
1062.353
1
0.0%
1049.358
2
0.1%
1048.3259
2
0.1%
1035.3309
2
0.1%
1034.299
1
0.0%
1021.304
1
0.0%
1020.2719999999999
2
0.1%
1011.305
2
0.1%
966.23096
1
0.0%
952.2039800000001
1
0.0%
weinerPath
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Kier1
0.82
a_IC
0.81
chi0
0.81
KierA1
0.80
Kier2
0.80
Q_VSA_HYD
0.80
Q_VSA_POS
0.80
vdw_area
0.80
KierA2
0.80
a_count
0.80
a_heavy
0.80
Weight
0.80
b_count
0.80
apol
0.79

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
a_don
0.89
lip_don
0.88
b_double
0.81
lip_violation
0.60
opr_violation
0.54
lip_druglike
0.46
opr_leadlike
0.38
rings
0.35
ast_violation_ext
0.33
ast_violation
0.31
reactive
0.30
opr_nring
0.29
crossterm_pr_pr55
0.15
Protein_descriptors_HDAC11
0.15
MOST FREQUENT VALUES
3418
47
1.6%
3197
19
0.6%
1252
15
0.5%
3389
13
0.4%
1751
12
0.4%
970
12
0.4%
1219
12
0.4%
1847
11
0.4%
2449
11
0.4%
1662
11
0.4%
2322
11
0.4%
1804
11
0.4%
3631
11
0.4%
2111
10
0.3%
3469
10
0.3%
SMALLEST VALUES
18
1
0.0%
50
5
0.2%
89
4
0.1%
110
1
0.0%
121
4
0.1%
153
1
0.0%
168
2
0.1%
170
7
0.2%
206
1
0.0%
226
5
0.2%
296
6
0.2%
335
1
0.0%
355
3
0.1%
379
1
0.0%
391
4
0.1%
LARGEST VALUES
114967
2
0.1%
111212
1
0.0%
107566
1
0.0%
34164
1
0.0%
32717
1
0.0%
32401
1
0.0%
31022
2
0.1%
30713
2
0.1%
29401
2
0.1%
29099
1
0.0%
27853
1
0.0%
27617
1
0.0%
27558
2
0.1%
26984
2
0.1%
26076
1
0.0%
weinerPol
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
zagreb
0.98
b_heavy
0.96
a_heavy
0.95
chi0
0.95
chi1
0.95
vdw_vol
0.95
chi0v
0.94
a_nC
0.94
h_mr
0.94
Weight
0.94
mr
0.94
SMR
0.93
chi0_C
0.93
apol
0.93

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.73
lip_violation
0.73
rings
0.72
opr_nring
0.63
lip_druglike
0.62
opr_leadlike
0.59
a_don
0.58
ast_violation
0.56
lip_don
0.55
ast_violation_ext
0.53
b_double
0.39
ast_fraglike
0.34
reactive
0.31
ast_fraglike_ext
0.24
MOST FREQUENT VALUES
42
133
4.5%
39
120
4.0%
49
118
4.0%
38
114
3.8%
40
111
3.7%
33
109
3.7%
46
108
3.6%
41
102
3.4%
37
99
3.3%
36
99
3.3%
31
99
3.3%
43
92
3.1%
47
79
2.6%
50
79
2.6%
34
74
2.5%
SMALLEST VALUES
2
1
0.0%
5
5
0.2%
7
1
0.0%
8
5
0.2%
9
1
0.0%
11
6
0.2%
12
13
0.4%
13
6
0.2%
14
1
0.0%
16
5
0.2%
17
3
0.1%
18
5
0.2%
19
3
0.1%
20
15
0.5%
21
7
0.2%
LARGEST VALUES
153
2
0.1%
152
1
0.0%
151
1
0.0%
137
1
0.0%
136
1
0.0%
135
2
0.1%
134
1
0.0%
133
3
0.1%
132
2
0.1%
131
2
0.1%
130
1
0.0%
128
1
0.0%
127
3
0.1%
126
2
0.1%
125
2
0.1%
zagreb
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
b_heavy
1.00
a_heavy
0.99
chi1
0.98
vdw_vol
0.98
weinerPol
0.98
chi0
0.98
h_mr
0.98
mr
0.97
SMR
0.97
Weight
0.97
chi0v
0.97
a_nC
0.96
chi1v
0.96
apol
0.96

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
opr_violation
0.77
lip_violation
0.74
rings
0.73
opr_nring
0.65
lip_druglike
0.64
opr_leadlike
0.62
ast_violation
0.62
a_don
0.62
ast_violation_ext
0.60
lip_don
0.59
b_double
0.42
ast_fraglike
0.39
reactive
0.29
ast_fraglike_ext
0.28
MOST FREQUENT VALUES
150
121
4.1%
146
105
3.5%
128
96
3.2%
152
91
3.0%
156
80
2.7%
132
79
2.6%
148
78
2.6%
160
75
2.5%
154
74
2.5%
120
74
2.5%
138
71
2.4%
126
66
2.2%
130
64
2.1%
142
64
2.1%
122
61
2.0%
SMALLEST VALUES
16
1
0.0%
24
5
0.2%
32
1
0.0%
36
1
0.0%
40
5
0.2%
42
7
0.2%
44
4
0.1%
48
2
0.1%
52
6
0.2%
56
6
0.2%
60
1
0.0%
62
3
0.1%
66
2
0.1%
70
1
0.0%
72
5
0.2%
LARGEST VALUES
516
2
0.1%
512
1
0.0%
508
1
0.0%
392
1
0.0%
388
2
0.1%
384
4
0.1%
380
3
0.1%
376
3
0.1%
364
2
0.1%
362
1
0.0%
358
1
0.0%
354
2
0.1%
350
2
0.1%
330
1
0.0%
326
2
0.1%
Protein_descriptors_HDAC1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC2
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC3
0.84
crossterm_pr_pr2
0.84
crossterm_pr_pr11
0.84
crossterm_pr_pr5
-0.64
crossterm_pr_pr22
-0.64
crossterm_pr_pr14
-0.64
crossterm_pr_pr35
-0.64
crossterm_pr_pr29
-0.64
Protein_descriptors_HDAC6
-0.64
Protein_descriptors_HDAC7
-0.62
crossterm_pr_pr6
-0.62
crossterm_pr_pr30
-0.62

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
a_nF
0.18
b_double
0.17
ast_violation_ext
0.15
MOST FREQUENT VALUES
100.0
1,073
36.0%
16.0
480
16.1%
47.6
375
12.6%
69.6
299
10.0%
18.4
240
8.0%
93.5
202
6.8%
14.8
100
3.4%
26.3
68
2.3%
17.2
55
1.8%
15.6
53
1.8%
29.1
39
1.3%
SMALLEST VALUES
14.8
100
3.4%
15.6
53
1.8%
16.0
480
16.1%
17.2
55
1.8%
18.4
240
8.0%
26.3
68
2.3%
29.1
39
1.3%
47.6
375
12.6%
69.6
299
10.0%
93.5
202
6.8%
100.0
1,073
36.0%
LARGEST VALUES
100.0
1,073
36.0%
93.5
202
6.8%
69.6
299
10.0%
47.6
375
12.6%
29.1
39
1.3%
26.3
68
2.3%
18.4
240
8.0%
17.2
55
1.8%
16.0
480
16.1%
15.6
53
1.8%
14.8
100
3.4%
Protein_descriptors_HDAC2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr11
0.85
Protein_descriptors_HDAC3
0.85
crossterm_pr_pr2
0.85
crossterm_pr_pr5
-0.65
crossterm_pr_pr14
-0.65
crossterm_pr_pr22
-0.65
crossterm_pr_pr29
-0.65
Protein_descriptors_HDAC6
-0.65
crossterm_pr_pr35
-0.65
crossterm_pr_pr15
-0.63
crossterm_pr_pr23
-0.63
Protein_descriptors_HDAC7
-0.63

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
a_nF
0.17
b_double
0.16
ast_violation_ext
0.15
MOST FREQUENT VALUES
93.5
1,073
36.0%
15.0
480
16.1%
47.3
375
12.6%
68.4
299
10.0%
17.9
240
8.0%
100.0
202
6.8%
14.9
100
3.4%
24.3
68
2.3%
17.0
55
1.8%
15.5
53
1.8%
28.2
39
1.3%
SMALLEST VALUES
14.9
100
3.4%
15.0
480
16.1%
15.5
53
1.8%
17.0
55
1.8%
17.9
240
8.0%
24.3
68
2.3%
28.2
39
1.3%
47.3
375
12.6%
68.4
299
10.0%
93.5
1,073
36.0%
100.0
202
6.8%
LARGEST VALUES
100.0
202
6.8%
93.5
1,073
36.0%
68.4
299
10.0%
47.3
375
12.6%
28.2
39
1.3%
24.3
68
2.3%
17.9
240
8.0%
17.0
55
1.8%
15.5
53
1.8%
15.0
480
16.1%
14.9
100
3.4%
Protein_descriptors_HDAC3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr11
1.00
crossterm_pr_pr2
1.00
Protein_descriptors_HDAC2
0.85
crossterm_pr_pr1
0.85
Protein_descriptors_HDAC1
0.84
crossterm_pr_pr5
-0.69
crossterm_pr_pr29
-0.69
crossterm_pr_pr22
-0.69
Protein_descriptors_HDAC6
-0.69
crossterm_pr_pr14
-0.69
crossterm_pr_pr35
-0.69
crossterm_pr_pr30
-0.64
crossterm_pr_pr6
-0.64
crossterm_pr_pr36
-0.64

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
b_double
0.18
opr_nring
0.18
a_nF
0.17
MOST FREQUENT VALUES
69.6
1,073
36.0%
13.5
480
16.1%
51.7
375
12.6%
100.0
299
10.0%
17.6
240
8.0%
68.4
202
6.8%
15.0
100
3.4%
26.9
68
2.3%
16.7
55
1.8%
14.8
53
1.8%
29.0
39
1.3%
SMALLEST VALUES
13.5
480
16.1%
14.8
53
1.8%
15.0
100
3.4%
16.7
55
1.8%
17.6
240
8.0%
26.9
68
2.3%
29.0
39
1.3%
51.7
375
12.6%
68.4
202
6.8%
69.6
1,073
36.0%
100.0
299
10.0%
LARGEST VALUES
100.0
299
10.0%
69.6
1,073
36.0%
68.4
202
6.8%
51.7
375
12.6%
29.0
39
1.3%
26.9
68
2.3%
17.6
240
8.0%
16.7
55
1.8%
15.0
100
3.4%
14.8
53
1.8%
13.5
480
16.1%
Protein_descriptors_HDAC4
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr3
1.00
crossterm_pr_pr20
1.00
crossterm_pr_pr12
1.00
crossterm_pr_pr28
0.90
crossterm_pr_pr13
0.90
crossterm_pr_pr21
0.90
Protein_descriptors_HDAC5
0.90
crossterm_pr_pr4
0.90
crossterm_pr_pr47
0.85
crossterm_pr_pr25
0.85
crossterm_pr_pr32
0.85
Protein_descriptors_HDAC9
0.85
crossterm_pr_pr43
0.85
crossterm_pr_pr38
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.97
crossterm_pr_pr10
0.97
crossterm_pr_pr19
0.97
crossterm_pr_pr27
0.97
crossterm_pr_pr34
0.97
crossterm_pr_pr40
0.97
crossterm_pr_pr45
0.97
crossterm_pr_pr49
0.97
crossterm_pr_pr52
0.97
crossterm_pr_pr54
0.97
a_nF
0.33
ast_violation_ext
0.32
b_double
0.31
MOST FREQUENT VALUES
18.4
1,073
36.0%
30.9
480
16.1%
17.7
375
12.6%
17.6
299
10.0%
100.0
240
8.0%
17.9
202
6.8%
62.0
100
3.4%
17.5
68
2.3%
56.7
55
1.8%
63.6
53
1.8%
15.7
39
1.3%
SMALLEST VALUES
15.7
39
1.3%
17.5
68
2.3%
17.6
299
10.0%
17.7
375
12.6%
17.9
202
6.8%
18.4
1,073
36.0%
30.9
480
16.1%
56.7
55
1.8%
62.0
100
3.4%
63.6
53
1.8%
100.0
240
8.0%
LARGEST VALUES
100.0
240
8.0%
63.6
53
1.8%
62.0
100
3.4%
56.7
55
1.8%
30.9
480
16.1%
18.4
1,073
36.0%
17.9
202
6.8%
17.7
375
12.6%
17.6
299
10.0%
17.5
68
2.3%
15.7
39
1.3%
Protein_descriptors_HDAC5
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr4
1.00
crossterm_pr_pr13
1.00
crossterm_pr_pr28
1.00
crossterm_pr_pr21
1.00
Protein_descriptors_HDAC9
0.92
crossterm_pr_pr43
0.92
crossterm_pr_pr32
0.92
crossterm_pr_pr17
0.92
crossterm_pr_pr50
0.92
crossterm_pr_pr8
0.92
crossterm_pr_pr47
0.92
crossterm_pr_pr38
0.92
crossterm_pr_pr25
0.92
Protein_descriptors_HDAC4
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.31
a_nF
0.30
b_double
0.29
MOST FREQUENT VALUES
15.6
1,073
36.0%
25.1
480
16.1%
15.0
375
12.6%
14.8
299
10.0%
63.6
240
8.0%
15.5
202
6.8%
66.6
100
3.4%
17.2
68
2.3%
51.3
55
1.8%
100.0
53
1.8%
12.9
39
1.3%
SMALLEST VALUES
12.9
39
1.3%
14.8
299
10.0%
15.0
375
12.6%
15.5
202
6.8%
15.6
1,073
36.0%
17.2
68
2.3%
25.1
480
16.1%
51.3
55
1.8%
63.6
240
8.0%
66.6
100
3.4%
100.0
53
1.8%
LARGEST VALUES
100.0
53
1.8%
66.6
100
3.4%
63.6
240
8.0%
51.3
55
1.8%
25.1
480
16.1%
17.2
68
2.3%
15.6
1,073
36.0%
15.5
202
6.8%
15.0
375
12.6%
14.8
299
10.0%
12.9
39
1.3%
Protein_descriptors_HDAC6
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr14
1.00
crossterm_pr_pr22
1.00
crossterm_pr_pr29
1.00
crossterm_pr_pr5
1.00
crossterm_pr_pr35
1.00
crossterm_pr_pr2
-0.69
crossterm_pr_pr11
-0.69
Protein_descriptors_HDAC3
-0.69
crossterm_pr_pr1
-0.65
Protein_descriptors_HDAC2
-0.65
Protein_descriptors_HDAC1
-0.64
crossterm_pr_pr24
-0.61
crossterm_pr_pr37
-0.61
Protein_descriptors_HDAC8
-0.61

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
opr_nring
0.10
lip_don
0.09
rings
0.09
MOST FREQUENT VALUES
16.0
1,073
36.0%
100.0
480
16.1%
13.6
375
12.6%
13.5
299
10.0%
30.9
240
8.0%
15.0
202
6.8%
23.1
100
3.4%
31.4
68
2.3%
28.2
55
1.8%
25.1
53
1.8%
12.2
39
1.3%
SMALLEST VALUES
12.2
39
1.3%
13.5
299
10.0%
13.6
375
12.6%
15.0
202
6.8%
16.0
1,073
36.0%
23.1
100
3.4%
25.1
53
1.8%
28.2
55
1.8%
30.9
240
8.0%
31.4
68
2.3%
100.0
480
16.1%
LARGEST VALUES
100.0
480
16.1%
31.4
68
2.3%
30.9
240
8.0%
28.2
55
1.8%
25.1
53
1.8%
23.1
100
3.4%
16.0
1,073
36.0%
15.0
202
6.8%
13.6
375
12.6%
13.5
299
10.0%
12.2
39
1.3%
Protein_descriptors_HDAC7
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr6
1.00
crossterm_pr_pr15
1.00
crossterm_pr_pr23
1.00
crossterm_pr_pr30
1.00
crossterm_pr_pr41
1.00
crossterm_pr_pr36
1.00
crossterm_pr_pr20
0.84
crossterm_pr_pr3
0.84
Protein_descriptors_HDAC4
0.84
crossterm_pr_pr12
0.84
crossterm_pr_pr13
0.84
crossterm_pr_pr28
0.84
crossterm_pr_pr21
0.84
Protein_descriptors_HDAC5
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.29
b_double
0.29
a_nF
0.26
MOST FREQUENT VALUES
17.2
1,073
36.0%
28.2
480
16.1%
16.9
375
12.6%
16.7
299
10.0%
56.7
240
8.0%
17.0
202
6.8%
49.3
100
3.4%
18.7
68
2.3%
100.0
55
1.8%
51.3
53
1.8%
16.8
39
1.3%
SMALLEST VALUES
16.7
299
10.0%
16.8
39
1.3%
16.9
375
12.6%
17.0
202
6.8%
17.2
1,073
36.0%
18.7
68
2.3%
28.2
480
16.1%
49.3
100
3.4%
51.3
53
1.8%
56.7
240
8.0%
100.0
55
1.8%
LARGEST VALUES
100.0
55
1.8%
56.7
240
8.0%
51.3
53
1.8%
49.3
100
3.4%
28.2
480
16.1%
18.7
68
2.3%
17.2
1,073
36.0%
17.0
202
6.8%
16.9
375
12.6%
16.8
39
1.3%
16.7
299
10.0%
Protein_descriptors_HDAC8
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr7
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr22
-0.61
crossterm_pr_pr29
-0.61
Protein_descriptors_HDAC6
-0.61
crossterm_pr_pr5
-0.61
crossterm_pr_pr14
-0.61
crossterm_pr_pr35
-0.61
Protein_descriptors_HDAC3
0.55

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
a_nF
0.17
lip_don
0.17
b_double
0.15
MOST FREQUENT VALUES
47.6
1,073
36.0%
13.6
480
16.1%
100.0
375
12.6%
51.7
299
10.0%
17.7
240
8.0%
47.3
202
6.8%
18.1
100
3.4%
22.6
68
2.3%
16.9
55
1.8%
15.0
53
1.8%
33.6
39
1.3%
SMALLEST VALUES
13.6
480
16.1%
15.0
53
1.8%
16.9
55
1.8%
17.7
240
8.0%
18.1
100
3.4%
22.6
68
2.3%
33.6
39
1.3%
47.3
202
6.8%
47.6
1,073
36.0%
51.7
299
10.0%
100.0
375
12.6%
LARGEST VALUES
100.0
375
12.6%
51.7
299
10.0%
47.6
1,073
36.0%
47.3
202
6.8%
33.6
39
1.3%
22.6
68
2.3%
18.1
100
3.4%
17.7
240
8.0%
16.9
55
1.8%
15.0
53
1.8%
13.6
480
16.1%
Protein_descriptors_HDAC9
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr25
1.00
crossterm_pr_pr32
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr50
1.00
crossterm_pr_pr47
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr8
1.00
crossterm_pr_pr13
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr21
0.92
crossterm_pr_pr4
0.92
crossterm_pr_pr28
0.92
Protein_descriptors_HDAC4
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
14.8
1,073
36.0%
23.1
480
16.1%
18.1
375
12.6%
15.0
299
10.0%
62.0
240
8.0%
14.9
202
6.8%
100.0
100
3.4%
15.4
68
2.3%
49.3
55
1.8%
66.6
53
1.8%
15.7
39
1.3%
SMALLEST VALUES
14.8
1,073
36.0%
14.9
202
6.8%
15.0
299
10.0%
15.4
68
2.3%
15.7
39
1.3%
18.1
375
12.6%
23.1
480
16.1%
49.3
55
1.8%
62.0
240
8.0%
66.6
53
1.8%
100.0
100
3.4%
LARGEST VALUES
100.0
100
3.4%
66.6
53
1.8%
62.0
240
8.0%
49.3
55
1.8%
23.1
480
16.1%
18.1
375
12.6%
15.7
39
1.3%
15.4
68
2.3%
15.0
299
10.0%
14.9
202
6.8%
14.8
1,073
36.0%
Protein_descriptors_HDAC10
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr9
1.00
crossterm_pr_pr26
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr39
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr53
1.00
crossterm_pr_pr48
1.00
crossterm_pr_pr18
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr25
-0.32
crossterm_pr_pr38
-0.32
crossterm_pr_pr50
-0.32
crossterm_pr_pr32
-0.32
Protein_descriptors_HDAC9
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
26.3
1,073
36.0%
31.4
480
16.1%
22.6
375
12.6%
26.9
299
10.0%
17.5
240
8.0%
24.3
202
6.8%
15.4
100
3.4%
100.0
68
2.3%
18.7
55
1.8%
17.2
53
1.8%
21.1
39
1.3%
SMALLEST VALUES
15.4
100
3.4%
17.2
53
1.8%
17.5
240
8.0%
18.7
55
1.8%
21.1
39
1.3%
22.6
375
12.6%
24.3
202
6.8%
26.3
1,073
36.0%
26.9
299
10.0%
31.4
480
16.1%
100.0
68
2.3%
LARGEST VALUES
100.0
68
2.3%
31.4
480
16.1%
26.9
299
10.0%
26.3
1,073
36.0%
24.3
202
6.8%
22.6
375
12.6%
21.1
39
1.3%
18.7
55
1.8%
17.5
240
8.0%
17.2
53
1.8%
15.4
100
3.4%
Protein_descriptors_HDAC11
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
29.1
1,073
36%
2.12
12.2
480
16%
1.99
33.6
375
13%
2.90
15.7
340
11%
2.50
29.0
299
10%
2.16
28.2
202
7%
2.32
21.1
68
2%
2.33
16.8
55
2%
3.30
12.9
53
2%
3.12
100.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
Protein_descriptors_HDAC11
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON Protein_descriptors_HDAC11:
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr1
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr11
0.85
crossterm_pr_pr2
0.85
Protein_descriptors_HDAC3
0.85
crossterm_pr_pr14
-0.65
crossterm_pr_pr35
-0.65
Protein_descriptors_HDAC6
-0.65
crossterm_pr_pr5
-0.65
crossterm_pr_pr29
-0.65
crossterm_pr_pr22
-0.65
crossterm_pr_pr30
-0.63
crossterm_pr_pr23
-0.63
crossterm_pr_pr15
-0.63

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
a_nF
0.17
b_double
0.16
ast_violation_ext
0.15
MOST FREQUENT VALUES
9350
1,073
36.0%
1500
480
16.1%
4730
375
12.6%
6840
299
10.0%
1790
240
8.0%
10000
202
6.8%
1490
100
3.4%
2430
68
2.3%
1700
55
1.8%
1550
53
1.8%
2820
39
1.3%
SMALLEST VALUES
1490
100
3.4%
1500
480
16.1%
1550
53
1.8%
1700
55
1.8%
1790
240
8.0%
2430
68
2.3%
2820
39
1.3%
4730
375
12.6%
6840
299
10.0%
9350
1,073
36.0%
10000
202
6.8%
LARGEST VALUES
10000
202
6.8%
9350
1,073
36.0%
6840
299
10.0%
4730
375
12.6%
2820
39
1.3%
2430
68
2.3%
1790
240
8.0%
1700
55
1.8%
1550
53
1.8%
1500
480
16.1%
1490
100
3.4%
crossterm_pr_pr2
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr1
0.85
Protein_descriptors_HDAC2
0.85
Protein_descriptors_HDAC1
0.84
Protein_descriptors_HDAC6
-0.69
crossterm_pr_pr5
-0.69
crossterm_pr_pr22
-0.69
crossterm_pr_pr14
-0.69
crossterm_pr_pr35
-0.69
crossterm_pr_pr29
-0.69
crossterm_pr_pr30
-0.64
Protein_descriptors_HDAC7
-0.64
crossterm_pr_pr41
-0.64

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
b_double
0.18
opr_nring
0.18
a_nF
0.17
MOST FREQUENT VALUES
6960
1,073
36.0%
1350
480
16.1%
5170
375
12.6%
10000
299
10.0%
1760
240
8.0%
6840
202
6.8%
1500
100
3.4%
2690
68
2.3%
1670
55
1.8%
1480
53
1.8%
2900
39
1.3%
SMALLEST VALUES
1350
480
16.1%
1480
53
1.8%
1500
100
3.4%
1670
55
1.8%
1760
240
8.0%
2690
68
2.3%
2900
39
1.3%
5170
375
12.6%
6840
202
6.8%
6960
1,073
36.0%
10000
299
10.0%
LARGEST VALUES
10000
299
10.0%
6960
1,073
36.0%
6840
202
6.8%
5170
375
12.6%
2900
39
1.3%
2690
68
2.3%
1760
240
8.0%
1670
55
1.8%
1500
100
3.4%
1480
53
1.8%
1350
480
16.1%
crossterm_pr_pr3
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC4
1.00
crossterm_pr_pr12
1.00
crossterm_pr_pr20
1.00
crossterm_pr_pr4
0.90
crossterm_pr_pr28
0.90
crossterm_pr_pr13
0.90
crossterm_pr_pr21
0.90
Protein_descriptors_HDAC5
0.90
crossterm_pr_pr38
0.85
crossterm_pr_pr50
0.85
crossterm_pr_pr32
0.85
crossterm_pr_pr8
0.85
crossterm_pr_pr25
0.85
Protein_descriptors_HDAC9
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.97
crossterm_pr_pr10
0.97
crossterm_pr_pr19
0.97
crossterm_pr_pr27
0.97
crossterm_pr_pr34
0.97
crossterm_pr_pr40
0.97
crossterm_pr_pr45
0.97
crossterm_pr_pr49
0.97
crossterm_pr_pr52
0.97
crossterm_pr_pr54
0.97
a_nF
0.33
ast_violation_ext
0.32
b_double
0.31
MOST FREQUENT VALUES
1840
1,073
36.0%
3090
480
16.1%
1770
375
12.6%
1760
299
10.0%
10000
240
8.0%
1790
202
6.8%
6200
100
3.4%
1750
68
2.3%
5670
55
1.8%
6360
53
1.8%
1570
39
1.3%
SMALLEST VALUES
1570
39
1.3%
1750
68
2.3%
1760
299
10.0%
1770
375
12.6%
1790
202
6.8%
1840
1,073
36.0%
3090
480
16.1%
5670
55
1.8%
6200
100
3.4%
6360
53
1.8%
10000
240
8.0%
LARGEST VALUES
10000
240
8.0%
6360
53
1.8%
6200
100
3.4%
5670
55
1.8%
3090
480
16.1%
1840
1,073
36.0%
1790
202
6.8%
1770
375
12.6%
1760
299
10.0%
1750
68
2.3%
1570
39
1.3%
crossterm_pr_pr4
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC5
1.00
crossterm_pr_pr13
1.00
crossterm_pr_pr21
1.00
crossterm_pr_pr28
1.00
crossterm_pr_pr32
0.92
Protein_descriptors_HDAC9
0.92
crossterm_pr_pr43
0.92
crossterm_pr_pr8
0.92
crossterm_pr_pr17
0.92
crossterm_pr_pr47
0.92
crossterm_pr_pr50
0.92
crossterm_pr_pr38
0.92
crossterm_pr_pr25
0.92
crossterm_pr_pr3
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.31
a_nF
0.30
b_double
0.29
MOST FREQUENT VALUES
1560
1,073
36.0%
2510
480
16.1%
1500
375
12.6%
1480
299
10.0%
6360
240
8.0%
1550
202
6.8%
6660
100
3.4%
1720
68
2.3%
5130
55
1.8%
10000
53
1.8%
1290
39
1.3%
SMALLEST VALUES
1290
39
1.3%
1480
299
10.0%
1500
375
12.6%
1550
202
6.8%
1560
1,073
36.0%
1720
68
2.3%
2510
480
16.1%
5130
55
1.8%
6360
240
8.0%
6660
100
3.4%
10000
53
1.8%
LARGEST VALUES
10000
53
1.8%
6660
100
3.4%
6360
240
8.0%
5130
55
1.8%
2510
480
16.1%
1720
68
2.3%
1560
1,073
36.0%
1550
202
6.8%
1500
375
12.6%
1480
299
10.0%
1290
39
1.3%
crossterm_pr_pr5
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr22
1.00
crossterm_pr_pr29
1.00
crossterm_pr_pr14
1.00
crossterm_pr_pr35
1.00
Protein_descriptors_HDAC6
1.00
Protein_descriptors_HDAC3
-0.69
crossterm_pr_pr2
-0.69
crossterm_pr_pr11
-0.69
Protein_descriptors_HDAC2
-0.65
crossterm_pr_pr1
-0.65
Protein_descriptors_HDAC1
-0.64
crossterm_pr_pr37
-0.61
crossterm_pr_pr16
-0.61
crossterm_pr_pr31
-0.61

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
opr_nring
0.10
lip_don
0.09
rings
0.09
MOST FREQUENT VALUES
1600
1,073
36.0%
10000
480
16.1%
1360
375
12.6%
1350
299
10.0%
3090
240
8.0%
1500
202
6.8%
2310
100
3.4%
3140
68
2.3%
2820
55
1.8%
2510
53
1.8%
1220
39
1.3%
SMALLEST VALUES
1220
39
1.3%
1350
299
10.0%
1360
375
12.6%
1500
202
6.8%
1600
1,073
36.0%
2310
100
3.4%
2510
53
1.8%
2820
55
1.8%
3090
240
8.0%
3140
68
2.3%
10000
480
16.1%
LARGEST VALUES
10000
480
16.1%
3140
68
2.3%
3090
240
8.0%
2820
55
1.8%
2510
53
1.8%
2310
100
3.4%
1600
1,073
36.0%
1500
202
6.8%
1360
375
12.6%
1350
299
10.0%
1220
39
1.3%
crossterm_pr_pr6
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC7
1.00
crossterm_pr_pr15
1.00
crossterm_pr_pr23
1.00
crossterm_pr_pr30
1.00
crossterm_pr_pr36
1.00
crossterm_pr_pr41
1.00
Protein_descriptors_HDAC4
0.84
crossterm_pr_pr3
0.84
crossterm_pr_pr12
0.84
crossterm_pr_pr20
0.84
crossterm_pr_pr21
0.84
crossterm_pr_pr13
0.84
crossterm_pr_pr28
0.84
crossterm_pr_pr4
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.29
b_double
0.29
a_nF
0.26
MOST FREQUENT VALUES
1720
1,073
36.0%
2820
480
16.1%
1690
375
12.6%
1670
299
10.0%
5670
240
8.0%
1700
202
6.8%
4930
100
3.4%
1870
68
2.3%
10000
55
1.8%
5130
53
1.8%
1680
39
1.3%
SMALLEST VALUES
1670
299
10.0%
1680
39
1.3%
1690
375
12.6%
1700
202
6.8%
1720
1,073
36.0%
1870
68
2.3%
2820
480
16.1%
4930
100
3.4%
5130
53
1.8%
5670
240
8.0%
10000
55
1.8%
LARGEST VALUES
10000
55
1.8%
5670
240
8.0%
5130
53
1.8%
4930
100
3.4%
2820
480
16.1%
1870
68
2.3%
1720
1,073
36.0%
1700
202
6.8%
1690
375
12.6%
1680
39
1.3%
1670
299
10.0%
crossterm_pr_pr7
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr35
-0.61
crossterm_pr_pr14
-0.61
crossterm_pr_pr29
-0.61
Protein_descriptors_HDAC6
-0.61
crossterm_pr_pr5
-0.61
crossterm_pr_pr22
-0.61
Protein_descriptors_HDAC3
0.55

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
a_nF
0.17
lip_don
0.17
b_double
0.15
MOST FREQUENT VALUES
4760
1,073
36.0%
1360
480
16.1%
10000
375
12.6%
5170
299
10.0%
1770
240
8.0%
4730
202
6.8%
1810
100
3.4%
2260
68
2.3%
1690
55
1.8%
1500
53
1.8%
3360
39
1.3%
SMALLEST VALUES
1360
480
16.1%
1500
53
1.8%
1690
55
1.8%
1770
240
8.0%
1810
100
3.4%
2260
68
2.3%
3360
39
1.3%
4730
202
6.8%
4760
1,073
36.0%
5170
299
10.0%
10000
375
12.6%
LARGEST VALUES
10000
375
12.6%
5170
299
10.0%
4760
1,073
36.0%
4730
202
6.8%
3360
39
1.3%
2260
68
2.3%
1810
100
3.4%
1770
240
8.0%
1690
55
1.8%
1500
53
1.8%
1360
480
16.1%
crossterm_pr_pr8
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr50
1.00
crossterm_pr_pr25
1.00
crossterm_pr_pr47
1.00
crossterm_pr_pr32
1.00
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr13
0.92
crossterm_pr_pr4
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr28
0.92
crossterm_pr_pr21
0.92
crossterm_pr_pr3
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
1480
1,073
36.0%
2310
480
16.1%
1810
375
12.6%
1500
299
10.0%
6200
240
8.0%
1490
202
6.8%
10000
100
3.4%
1540
68
2.3%
4930
55
1.8%
6660
53
1.8%
1570
39
1.3%
SMALLEST VALUES
1480
1,073
36.0%
1490
202
6.8%
1500
299
10.0%
1540
68
2.3%
1570
39
1.3%
1810
375
12.6%
2310
480
16.1%
4930
55
1.8%
6200
240
8.0%
6660
53
1.8%
10000
100
3.4%
LARGEST VALUES
10000
100
3.4%
6660
53
1.8%
6200
240
8.0%
4930
55
1.8%
2310
480
16.1%
1810
375
12.6%
1570
39
1.3%
1540
68
2.3%
1500
299
10.0%
1490
202
6.8%
1480
1,073
36.0%
crossterm_pr_pr9
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr26
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr48
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr53
1.00
crossterm_pr_pr39
1.00
crossterm_pr_pr18
1.00
crossterm_pr_pr47
-0.32
crossterm_pr_pr25
-0.32
Protein_descriptors_HDAC9
-0.32
crossterm_pr_pr8
-0.32
crossterm_pr_pr43
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
2630
1,073
36.0%
3140
480
16.1%
2260
375
12.6%
2690
299
10.0%
1750
240
8.0%
2430
202
6.8%
1540
100
3.4%
10000
68
2.3%
1870
55
1.8%
1720
53
1.8%
2110
39
1.3%
SMALLEST VALUES
1540
100
3.4%
1720
53
1.8%
1750
240
8.0%
1870
55
1.8%
2110
39
1.3%
2260
375
12.6%
2430
202
6.8%
2630
1,073
36.0%
2690
299
10.0%
3140
480
16.1%
10000
68
2.3%
LARGEST VALUES
10000
68
2.3%
3140
480
16.1%
2690
299
10.0%
2630
1,073
36.0%
2430
202
6.8%
2260
375
12.6%
2110
39
1.3%
1870
55
1.8%
1750
240
8.0%
1720
53
1.8%
1540
100
3.4%
crossterm_pr_pr10
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
2910
1,073
36%
2.12
1220
480
16%
1.99
3360
375
13%
2.90
1570
340
11%
2.50
2900
299
10%
2.16
2820
202
7%
2.32
2110
68
2%
2.33
1680
55
2%
3.30
1290
53
2%
3.12
10000
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr10
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr10:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr10
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr11
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
Protein_descriptors_HDAC2
0.85
crossterm_pr_pr1
0.85
Protein_descriptors_HDAC1
0.84
crossterm_pr_pr35
-0.69
crossterm_pr_pr5
-0.69
crossterm_pr_pr29
-0.69
crossterm_pr_pr22
-0.69
Protein_descriptors_HDAC6
-0.69
crossterm_pr_pr14
-0.69
crossterm_pr_pr15
-0.64
crossterm_pr_pr30
-0.64
Protein_descriptors_HDAC7
-0.64

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
b_double
0.18
opr_nring
0.18
a_nF
0.17
MOST FREQUENT VALUES
6507.6
1,073
36.0%
1262.25
480
16.1%
4833.95
375
12.6%
9350.0
299
10.0%
1645.6
240
8.0%
6395.4
202
6.8%
1402.5
100
3.4%
2515.15
68
2.3%
1561.45
55
1.8%
1383.8
53
1.8%
2711.5
39
1.3%
SMALLEST VALUES
1262.25
480
16.1%
1383.8
53
1.8%
1402.5
100
3.4%
1561.45
55
1.8%
1645.6
240
8.0%
2515.15
68
2.3%
2711.5
39
1.3%
4833.95
375
12.6%
6395.4
202
6.8%
6507.6
1,073
36.0%
9350.0
299
10.0%
LARGEST VALUES
9350.0
299
10.0%
6507.6
1,073
36.0%
6395.4
202
6.8%
4833.95
375
12.6%
2711.5
39
1.3%
2515.15
68
2.3%
1645.6
240
8.0%
1561.45
55
1.8%
1402.5
100
3.4%
1383.8
53
1.8%
1262.25
480
16.1%
crossterm_pr_pr12
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr3
1.00
crossterm_pr_pr20
1.00
Protein_descriptors_HDAC4
1.00
crossterm_pr_pr13
0.90
Protein_descriptors_HDAC5
0.90
crossterm_pr_pr21
0.90
crossterm_pr_pr4
0.90
crossterm_pr_pr28
0.90
Protein_descriptors_HDAC9
0.85
crossterm_pr_pr43
0.85
crossterm_pr_pr32
0.85
crossterm_pr_pr47
0.85
crossterm_pr_pr8
0.85
crossterm_pr_pr50
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.97
crossterm_pr_pr10
0.97
crossterm_pr_pr19
0.97
crossterm_pr_pr27
0.97
crossterm_pr_pr34
0.97
crossterm_pr_pr40
0.97
crossterm_pr_pr45
0.97
crossterm_pr_pr49
0.97
crossterm_pr_pr52
0.97
crossterm_pr_pr54
0.97
a_nF
0.33
ast_violation_ext
0.32
b_double
0.31
MOST FREQUENT VALUES
1720.4
1,073
36.0%
2889.15
480
16.1%
1654.95
375
12.6%
1645.6
299
10.0%
9350.0
240
8.0%
1673.65
202
6.8%
5797.0
100
3.4%
1636.25
68
2.3%
5301.45
55
1.8%
5946.6
53
1.8%
1467.95
39
1.3%
SMALLEST VALUES
1467.95
39
1.3%
1636.25
68
2.3%
1645.6
299
10.0%
1654.95
375
12.6%
1673.65
202
6.8%
1720.4
1,073
36.0%
2889.15
480
16.1%
5301.45
55
1.8%
5797.0
100
3.4%
5946.6
53
1.8%
9350.0
240
8.0%
LARGEST VALUES
9350.0
240
8.0%
5946.6
53
1.8%
5797.0
100
3.4%
5301.45
55
1.8%
2889.15
480
16.1%
1720.4
1,073
36.0%
1673.65
202
6.8%
1654.95
375
12.6%
1645.6
299
10.0%
1636.25
68
2.3%
1467.95
39
1.3%
crossterm_pr_pr13
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC5
1.00
crossterm_pr_pr4
1.00
crossterm_pr_pr21
1.00
crossterm_pr_pr28
1.00
crossterm_pr_pr47
0.92
crossterm_pr_pr17
0.92
Protein_descriptors_HDAC9
0.92
crossterm_pr_pr43
0.92
crossterm_pr_pr25
0.92
crossterm_pr_pr8
0.92
crossterm_pr_pr50
0.92
crossterm_pr_pr38
0.92
crossterm_pr_pr32
0.92
Protein_descriptors_HDAC4
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.31
a_nF
0.30
b_double
0.29
MOST FREQUENT VALUES
1458.6
1,073
36.0%
2346.85
480
16.1%
1402.5
375
12.6%
1383.8
299
10.0%
5946.6
240
8.0%
1449.25
202
6.8%
6227.1
100
3.4%
1608.2
68
2.3%
4796.55
55
1.8%
9350.0
53
1.8%
1206.15
39
1.3%
SMALLEST VALUES
1206.15
39
1.3%
1383.8
299
10.0%
1402.5
375
12.6%
1449.25
202
6.8%
1458.6
1,073
36.0%
1608.2
68
2.3%
2346.85
480
16.1%
4796.55
55
1.8%
5946.6
240
8.0%
6227.1
100
3.4%
9350.0
53
1.8%
LARGEST VALUES
9350.0
53
1.8%
6227.1
100
3.4%
5946.6
240
8.0%
4796.55
55
1.8%
2346.85
480
16.1%
1608.2
68
2.3%
1458.6
1,073
36.0%
1449.25
202
6.8%
1402.5
375
12.6%
1383.8
299
10.0%
1206.15
39
1.3%
crossterm_pr_pr14
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr22
1.00
Protein_descriptors_HDAC6
1.00
crossterm_pr_pr35
1.00
crossterm_pr_pr29
1.00
crossterm_pr_pr5
1.00
Protein_descriptors_HDAC3
-0.69
crossterm_pr_pr2
-0.69
crossterm_pr_pr11
-0.69
crossterm_pr_pr1
-0.65
Protein_descriptors_HDAC2
-0.65
Protein_descriptors_HDAC1
-0.64
crossterm_pr_pr16
-0.61
crossterm_pr_pr7
-0.61
crossterm_pr_pr24
-0.61

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
opr_nring
0.10
lip_don
0.09
rings
0.09
MOST FREQUENT VALUES
1496.0
1,073
36.0%
9350.0
480
16.1%
1271.6
375
12.6%
1262.25
299
10.0%
2889.15
240
8.0%
1402.5
202
6.8%
2159.85
100
3.4%
2935.9
68
2.3%
2636.7
55
1.8%
2346.85
53
1.8%
1140.7
39
1.3%
SMALLEST VALUES
1140.7
39
1.3%
1262.25
299
10.0%
1271.6
375
12.6%
1402.5
202
6.8%
1496.0
1,073
36.0%
2159.85
100
3.4%
2346.85
53
1.8%
2636.7
55
1.8%
2889.15
240
8.0%
2935.9
68
2.3%
9350.0
480
16.1%
LARGEST VALUES
9350.0
480
16.1%
2935.9
68
2.3%
2889.15
240
8.0%
2636.7
55
1.8%
2346.85
53
1.8%
2159.85
100
3.4%
1496.0
1,073
36.0%
1402.5
202
6.8%
1271.6
375
12.6%
1262.25
299
10.0%
1140.7
39
1.3%
crossterm_pr_pr15
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC7
1.00
crossterm_pr_pr6
1.00
crossterm_pr_pr23
1.00
crossterm_pr_pr30
1.00
crossterm_pr_pr36
1.00
crossterm_pr_pr41
1.00
crossterm_pr_pr3
0.84
Protein_descriptors_HDAC4
0.84
crossterm_pr_pr12
0.84
crossterm_pr_pr20
0.84
crossterm_pr_pr21
0.84
crossterm_pr_pr4
0.84
crossterm_pr_pr13
0.84
Protein_descriptors_HDAC5
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.29
b_double
0.29
a_nF
0.26
MOST FREQUENT VALUES
1608.2
1,073
36.0%
2636.7
480
16.1%
1580.15
375
12.6%
1561.45
299
10.0%
5301.45
240
8.0%
1589.5
202
6.8%
4609.55
100
3.4%
1748.45
68
2.3%
9350.0
55
1.8%
4796.55
53
1.8%
1570.8
39
1.3%
SMALLEST VALUES
1561.45
299
10.0%
1570.8
39
1.3%
1580.15
375
12.6%
1589.5
202
6.8%
1608.2
1,073
36.0%
1748.45
68
2.3%
2636.7
480
16.1%
4609.55
100
3.4%
4796.55
53
1.8%
5301.45
240
8.0%
9350.0
55
1.8%
LARGEST VALUES
9350.0
55
1.8%
5301.45
240
8.0%
4796.55
53
1.8%
4609.55
100
3.4%
2636.7
480
16.1%
1748.45
68
2.3%
1608.2
1,073
36.0%
1589.5
202
6.8%
1580.15
375
12.6%
1570.8
39
1.3%
1561.45
299
10.0%
crossterm_pr_pr16
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr24
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr7
1.00
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr14
-0.61
crossterm_pr_pr5
-0.61
Protein_descriptors_HDAC6
-0.61
crossterm_pr_pr22
-0.61
crossterm_pr_pr29
-0.61
crossterm_pr_pr35
-0.61
crossterm_pr_pr11
0.55

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
a_nF
0.17
lip_don
0.17
b_double
0.15
MOST FREQUENT VALUES
4450.6
1,073
36.0%
1271.6
480
16.1%
9350.0
375
12.6%
4833.95
299
10.0%
1654.95
240
8.0%
4422.55
202
6.8%
1692.35
100
3.4%
2113.1
68
2.3%
1580.15
55
1.8%
1402.5
53
1.8%
3141.6
39
1.3%
SMALLEST VALUES
1271.6
480
16.1%
1402.5
53
1.8%
1580.15
55
1.8%
1654.95
240
8.0%
1692.35
100
3.4%
2113.1
68
2.3%
3141.6
39
1.3%
4422.55
202
6.8%
4450.6
1,073
36.0%
4833.95
299
10.0%
9350.0
375
12.6%
LARGEST VALUES
9350.0
375
12.6%
4833.95
299
10.0%
4450.6
1,073
36.0%
4422.55
202
6.8%
3141.6
39
1.3%
2113.1
68
2.3%
1692.35
100
3.4%
1654.95
240
8.0%
1580.15
55
1.8%
1402.5
53
1.8%
1271.6
480
16.1%
crossterm_pr_pr17
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr47
1.00
crossterm_pr_pr50
1.00
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr32
1.00
crossterm_pr_pr8
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr25
1.00
crossterm_pr_pr13
0.92
crossterm_pr_pr21
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr4
0.92
crossterm_pr_pr28
0.92
Protein_descriptors_HDAC4
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
1383.8
1,073
36.0%
2159.85
480
16.1%
1692.35
375
12.6%
1402.5
299
10.0%
5797.0
240
8.0%
1393.15
202
6.8%
9350.0
100
3.4%
1439.9
68
2.3%
4609.55
55
1.8%
6227.1
53
1.8%
1467.95
39
1.3%
SMALLEST VALUES
1383.8
1,073
36.0%
1393.15
202
6.8%
1402.5
299
10.0%
1439.9
68
2.3%
1467.95
39
1.3%
1692.35
375
12.6%
2159.85
480
16.1%
4609.55
55
1.8%
5797.0
240
8.0%
6227.1
53
1.8%
9350.0
100
3.4%
LARGEST VALUES
9350.0
100
3.4%
6227.1
53
1.8%
5797.0
240
8.0%
4609.55
55
1.8%
2159.85
480
16.1%
1692.35
375
12.6%
1467.95
39
1.3%
1439.9
68
2.3%
1402.5
299
10.0%
1393.15
202
6.8%
1383.8
1,073
36.0%
crossterm_pr_pr18
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr26
1.00
crossterm_pr_pr48
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr53
1.00
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr39
1.00
crossterm_pr_pr9
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr50
-0.32
crossterm_pr_pr8
-0.32
crossterm_pr_pr38
-0.32
Protein_descriptors_HDAC9
-0.32
crossterm_pr_pr43
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
2459.05
1,073
36.0%
2935.9
480
16.1%
2113.1
375
12.6%
2515.15
299
10.0%
1636.25
240
8.0%
2272.05
202
6.8%
1439.9
100
3.4%
9350.0
68
2.3%
1748.45
55
1.8%
1608.2
53
1.8%
1972.85
39
1.3%
SMALLEST VALUES
1439.9
100
3.4%
1608.2
53
1.8%
1636.25
240
8.0%
1748.45
55
1.8%
1972.85
39
1.3%
2113.1
375
12.6%
2272.05
202
6.8%
2459.05
1,073
36.0%
2515.15
299
10.0%
2935.9
480
16.1%
9350.0
68
2.3%
LARGEST VALUES
9350.0
68
2.3%
2935.9
480
16.1%
2515.15
299
10.0%
2459.05
1,073
36.0%
2272.05
202
6.8%
2113.1
375
12.6%
1972.85
39
1.3%
1748.45
55
1.8%
1636.25
240
8.0%
1608.2
53
1.8%
1439.9
100
3.4%
crossterm_pr_pr19
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
2720.85
1,073
36%
2.12
1140.7
480
16%
1.99
3141.6
375
13%
2.90
1467.95
340
11%
2.50
2711.5
299
10%
2.16
2636.7
202
7%
2.32
1972.85
68
2%
2.33
1570.8
55
2%
3.30
1206.15
53
2%
3.12
9350.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr19
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr19:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr19
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr20
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC4
1.00
crossterm_pr_pr3
1.00
crossterm_pr_pr12
1.00
crossterm_pr_pr13
0.90
Protein_descriptors_HDAC5
0.90
crossterm_pr_pr4
0.90
crossterm_pr_pr28
0.90
crossterm_pr_pr21
0.90
crossterm_pr_pr50
0.85
crossterm_pr_pr47
0.85
Protein_descriptors_HDAC9
0.85
crossterm_pr_pr43
0.85
crossterm_pr_pr38
0.85
crossterm_pr_pr8
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.97
crossterm_pr_pr10
0.97
crossterm_pr_pr19
0.97
crossterm_pr_pr27
0.97
crossterm_pr_pr34
0.97
crossterm_pr_pr40
0.97
crossterm_pr_pr45
0.97
crossterm_pr_pr49
0.97
crossterm_pr_pr52
0.97
crossterm_pr_pr54
0.97
a_nF
0.33
ast_violation_ext
0.32
b_double
0.31
MOST FREQUENT VALUES
1280.64
1,073
36.0%
2150.64
480
16.1%
1231.92
375
12.6%
1224.96
299
10.0%
6960.0
240
8.0%
1245.84
202
6.8%
4315.2
100
3.4%
1218.0
68
2.3%
3946.32
55
1.8%
4426.56
53
1.8%
1092.72
39
1.3%
SMALLEST VALUES
1092.72
39
1.3%
1218.0
68
2.3%
1224.96
299
10.0%
1231.92
375
12.6%
1245.84
202
6.8%
1280.64
1,073
36.0%
2150.64
480
16.1%
3946.32
55
1.8%
4315.2
100
3.4%
4426.56
53
1.8%
6960.0
240
8.0%
LARGEST VALUES
6960.0
240
8.0%
4426.56
53
1.8%
4315.2
100
3.4%
3946.32
55
1.8%
2150.64
480
16.1%
1280.64
1,073
36.0%
1245.84
202
6.8%
1231.92
375
12.6%
1224.96
299
10.0%
1218.0
68
2.3%
1092.72
39
1.3%
crossterm_pr_pr21
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr4
1.00
crossterm_pr_pr13
1.00
Protein_descriptors_HDAC5
1.00
crossterm_pr_pr28
1.00
Protein_descriptors_HDAC9
0.92
crossterm_pr_pr43
0.92
crossterm_pr_pr17
0.92
crossterm_pr_pr25
0.92
crossterm_pr_pr38
0.92
crossterm_pr_pr50
0.92
crossterm_pr_pr32
0.92
crossterm_pr_pr8
0.92
crossterm_pr_pr47
0.92
Protein_descriptors_HDAC4
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.31
a_nF
0.30
b_double
0.29
MOST FREQUENT VALUES
1085.76
1,073
36.0%
1746.96
480
16.1%
1044.0
375
12.6%
1030.08
299
10.0%
4426.56
240
8.0%
1078.8
202
6.8%
4635.36
100
3.4%
1197.12
68
2.3%
3570.48
55
1.8%
6960.0
53
1.8%
897.84
39
1.3%
SMALLEST VALUES
897.84
39
1.3%
1030.08
299
10.0%
1044.0
375
12.6%
1078.8
202
6.8%
1085.76
1,073
36.0%
1197.12
68
2.3%
1746.96
480
16.1%
3570.48
55
1.8%
4426.56
240
8.0%
4635.36
100
3.4%
6960.0
53
1.8%
LARGEST VALUES
6960.0
53
1.8%
4635.36
100
3.4%
4426.56
240
8.0%
3570.48
55
1.8%
1746.96
480
16.1%
1197.12
68
2.3%
1085.76
1,073
36.0%
1078.8
202
6.8%
1044.0
375
12.6%
1030.08
299
10.0%
897.84
39
1.3%
crossterm_pr_pr22
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr5
1.00
crossterm_pr_pr14
1.00
crossterm_pr_pr29
1.00
crossterm_pr_pr35
1.00
Protein_descriptors_HDAC6
1.00
crossterm_pr_pr2
-0.69
Protein_descriptors_HDAC3
-0.69
crossterm_pr_pr11
-0.69
Protein_descriptors_HDAC2
-0.65
crossterm_pr_pr1
-0.65
Protein_descriptors_HDAC1
-0.64
Protein_descriptors_HDAC8
-0.61
crossterm_pr_pr42
-0.61
crossterm_pr_pr46
-0.61

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
opr_nring
0.10
lip_don
0.09
rings
0.09
MOST FREQUENT VALUES
1113.6
1,073
36.0%
6960.0
480
16.1%
946.56
375
12.6%
939.6
299
10.0%
2150.64
240
8.0%
1044.0
202
6.8%
1607.76
100
3.4%
2185.44
68
2.3%
1962.72
55
1.8%
1746.96
53
1.8%
849.12
39
1.3%
SMALLEST VALUES
849.12
39
1.3%
939.6
299
10.0%
946.56
375
12.6%
1044.0
202
6.8%
1113.6
1,073
36.0%
1607.76
100
3.4%
1746.96
53
1.8%
1962.72
55
1.8%
2150.64
240
8.0%
2185.44
68
2.3%
6960.0
480
16.1%
LARGEST VALUES
6960.0
480
16.1%
2185.44
68
2.3%
2150.64
240
8.0%
1962.72
55
1.8%
1746.96
53
1.8%
1607.76
100
3.4%
1113.6
1,073
36.0%
1044.0
202
6.8%
946.56
375
12.6%
939.6
299
10.0%
849.12
39
1.3%
crossterm_pr_pr23
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC7
1.00
crossterm_pr_pr6
1.00
crossterm_pr_pr15
1.00
crossterm_pr_pr30
1.00
crossterm_pr_pr36
1.00
crossterm_pr_pr41
1.00
Protein_descriptors_HDAC4
0.84
crossterm_pr_pr3
0.84
crossterm_pr_pr20
0.84
crossterm_pr_pr12
0.84
crossterm_pr_pr13
0.84
crossterm_pr_pr4
0.84
Protein_descriptors_HDAC5
0.84
crossterm_pr_pr28
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.29
b_double
0.29
a_nF
0.26
MOST FREQUENT VALUES
1197.12
1,073
36.0%
1962.72
480
16.1%
1176.24
375
12.6%
1162.32
299
10.0%
3946.32
240
8.0%
1183.2
202
6.8%
3431.28
100
3.4%
1301.52
68
2.3%
6960.0
55
1.8%
3570.48
53
1.8%
1169.28
39
1.3%
SMALLEST VALUES
1162.32
299
10.0%
1169.28
39
1.3%
1176.24
375
12.6%
1183.2
202
6.8%
1197.12
1,073
36.0%
1301.52
68
2.3%
1962.72
480
16.1%
3431.28
100
3.4%
3570.48
53
1.8%
3946.32
240
8.0%
6960.0
55
1.8%
LARGEST VALUES
6960.0
55
1.8%
3946.32
240
8.0%
3570.48
53
1.8%
3431.28
100
3.4%
1962.72
480
16.1%
1301.52
68
2.3%
1197.12
1,073
36.0%
1183.2
202
6.8%
1176.24
375
12.6%
1169.28
39
1.3%
1162.32
299
10.0%
crossterm_pr_pr24
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr31
1.00
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr42
1.00
Protein_descriptors_HDAC6
-0.61
crossterm_pr_pr22
-0.61
crossterm_pr_pr35
-0.61
crossterm_pr_pr5
-0.61
crossterm_pr_pr14
-0.61
crossterm_pr_pr29
-0.61
crossterm_pr_pr2
0.55

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
a_nF
0.17
lip_don
0.17
b_double
0.15
MOST FREQUENT VALUES
3312.96
1,073
36.0%
946.56
480
16.1%
6960.0
375
12.6%
3598.32
299
10.0%
1231.92
240
8.0%
3292.08
202
6.8%
1259.76
100
3.4%
1572.96
68
2.3%
1176.24
55
1.8%
1044.0
53
1.8%
2338.56
39
1.3%
SMALLEST VALUES
946.56
480
16.1%
1044.0
53
1.8%
1176.24
55
1.8%
1231.92
240
8.0%
1259.76
100
3.4%
1572.96
68
2.3%
2338.56
39
1.3%
3292.08
202
6.8%
3312.96
1,073
36.0%
3598.32
299
10.0%
6960.0
375
12.6%
LARGEST VALUES
6960.0
375
12.6%
3598.32
299
10.0%
3312.96
1,073
36.0%
3292.08
202
6.8%
2338.56
39
1.3%
1572.96
68
2.3%
1259.76
100
3.4%
1231.92
240
8.0%
1176.24
55
1.8%
1044.0
53
1.8%
946.56
480
16.1%
crossterm_pr_pr25
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr32
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr47
1.00
crossterm_pr_pr8
1.00
crossterm_pr_pr50
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr13
0.92
crossterm_pr_pr21
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr4
0.92
crossterm_pr_pr28
0.92
Protein_descriptors_HDAC4
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
1030.08
1,073
36.0%
1607.76
480
16.1%
1259.76
375
12.6%
1044.0
299
10.0%
4315.2
240
8.0%
1037.04
202
6.8%
6960.0
100
3.4%
1071.84
68
2.3%
3431.28
55
1.8%
4635.36
53
1.8%
1092.72
39
1.3%
SMALLEST VALUES
1030.08
1,073
36.0%
1037.04
202
6.8%
1044.0
299
10.0%
1071.84
68
2.3%
1092.72
39
1.3%
1259.76
375
12.6%
1607.76
480
16.1%
3431.28
55
1.8%
4315.2
240
8.0%
4635.36
53
1.8%
6960.0
100
3.4%
LARGEST VALUES
6960.0
100
3.4%
4635.36
53
1.8%
4315.2
240
8.0%
3431.28
55
1.8%
1607.76
480
16.1%
1259.76
375
12.6%
1092.72
39
1.3%
1071.84
68
2.3%
1044.0
299
10.0%
1037.04
202
6.8%
1030.08
1,073
36.0%
crossterm_pr_pr26
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr9
1.00
crossterm_pr_pr18
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr53
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr48
1.00
crossterm_pr_pr39
1.00
Protein_descriptors_HDAC9
-0.32
crossterm_pr_pr43
-0.32
crossterm_pr_pr50
-0.32
crossterm_pr_pr32
-0.32
crossterm_pr_pr25
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
1830.48
1,073
36.0%
2185.44
480
16.1%
1572.96
375
12.6%
1872.24
299
10.0%
1218.0
240
8.0%
1691.28
202
6.8%
1071.84
100
3.4%
6960.0
68
2.3%
1301.52
55
1.8%
1197.12
53
1.8%
1468.56
39
1.3%
SMALLEST VALUES
1071.84
100
3.4%
1197.12
53
1.8%
1218.0
240
8.0%
1301.52
55
1.8%
1468.56
39
1.3%
1572.96
375
12.6%
1691.28
202
6.8%
1830.48
1,073
36.0%
1872.24
299
10.0%
2185.44
480
16.1%
6960.0
68
2.3%
LARGEST VALUES
6960.0
68
2.3%
2185.44
480
16.1%
1872.24
299
10.0%
1830.48
1,073
36.0%
1691.28
202
6.8%
1572.96
375
12.6%
1468.56
39
1.3%
1301.52
55
1.8%
1218.0
240
8.0%
1197.12
53
1.8%
1071.84
100
3.4%
crossterm_pr_pr27
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
2025.36
1,073
36%
2.12
849.12
480
16%
1.99
2338.56
375
13%
2.90
1092.72
340
11%
2.50
2018.4
299
10%
2.16
1962.72
202
7%
2.32
1468.56
68
2%
2.33
1169.28
55
2%
3.30
897.84
53
2%
3.12
6960.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr27
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr27:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr27
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr28
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC5
1.00
crossterm_pr_pr4
1.00
crossterm_pr_pr21
1.00
crossterm_pr_pr13
1.00
Protein_descriptors_HDAC9
0.92
crossterm_pr_pr43
0.92
crossterm_pr_pr38
0.92
crossterm_pr_pr47
0.92
crossterm_pr_pr50
0.92
crossterm_pr_pr32
0.92
crossterm_pr_pr8
0.92
crossterm_pr_pr25
0.92
crossterm_pr_pr17
0.92
Protein_descriptors_HDAC4
0.90

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.31
a_nF
0.30
b_double
0.29
MOST FREQUENT VALUES
287.04
1,073
36.0%
461.84
480
16.1%
276.0
375
12.6%
272.32
299
10.0%
1170.24
240
8.0%
285.2
202
6.8%
1225.44
100
3.4%
316.48
68
2.3%
943.92
55
1.8%
1840.0
53
1.8%
237.36
39
1.3%
SMALLEST VALUES
237.36
39
1.3%
272.32
299
10.0%
276.0
375
12.6%
285.2
202
6.8%
287.04
1,073
36.0%
316.48
68
2.3%
461.84
480
16.1%
943.92
55
1.8%
1170.24
240
8.0%
1225.44
100
3.4%
1840.0
53
1.8%
LARGEST VALUES
1840.0
53
1.8%
1225.44
100
3.4%
1170.24
240
8.0%
943.92
55
1.8%
461.84
480
16.1%
316.48
68
2.3%
287.04
1,073
36.0%
285.2
202
6.8%
276.0
375
12.6%
272.32
299
10.0%
237.36
39
1.3%
crossterm_pr_pr29
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr5
1.00
crossterm_pr_pr22
1.00
crossterm_pr_pr14
1.00
Protein_descriptors_HDAC6
1.00
crossterm_pr_pr35
1.00
Protein_descriptors_HDAC3
-0.69
crossterm_pr_pr11
-0.69
crossterm_pr_pr2
-0.69
Protein_descriptors_HDAC2
-0.65
crossterm_pr_pr1
-0.65
Protein_descriptors_HDAC1
-0.64
crossterm_pr_pr37
-0.61
crossterm_pr_pr31
-0.61
Protein_descriptors_HDAC8
-0.61

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
opr_nring
0.10
lip_don
0.09
rings
0.09
MOST FREQUENT VALUES
294.4
1,073
36.0%
1840.0
480
16.1%
250.24
375
12.6%
248.4
299
10.0%
568.56
240
8.0%
276.0
202
6.8%
425.04
100
3.4%
577.76
68
2.3%
518.88
55
1.8%
461.84
53
1.8%
224.48
39
1.3%
SMALLEST VALUES
224.48
39
1.3%
248.4
299
10.0%
250.24
375
12.6%
276.0
202
6.8%
294.4
1,073
36.0%
425.04
100
3.4%
461.84
53
1.8%
518.88
55
1.8%
568.56
240
8.0%
577.76
68
2.3%
1840.0
480
16.1%
LARGEST VALUES
1840.0
480
16.1%
577.76
68
2.3%
568.56
240
8.0%
518.88
55
1.8%
461.84
53
1.8%
425.04
100
3.4%
294.4
1,073
36.0%
276.0
202
6.8%
250.24
375
12.6%
248.4
299
10.0%
224.48
39
1.3%
crossterm_pr_pr30
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC7
1.00
crossterm_pr_pr6
1.00
crossterm_pr_pr15
1.00
crossterm_pr_pr23
1.00
crossterm_pr_pr36
1.00
crossterm_pr_pr41
1.00
crossterm_pr_pr3
0.84
crossterm_pr_pr12
0.84
Protein_descriptors_HDAC4
0.84
crossterm_pr_pr20
0.84
crossterm_pr_pr28
0.84
Protein_descriptors_HDAC5
0.84
crossterm_pr_pr4
0.84
crossterm_pr_pr13
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.29
b_double
0.29
a_nF
0.26
MOST FREQUENT VALUES
316.48
1,073
36.0%
518.88
480
16.1%
310.96
375
12.6%
307.28
299
10.0%
1043.28
240
8.0%
312.8
202
6.8%
907.12
100
3.4%
344.08
68
2.3%
1840.0
55
1.8%
943.92
53
1.8%
309.12
39
1.3%
SMALLEST VALUES
307.28
299
10.0%
309.12
39
1.3%
310.96
375
12.6%
312.8
202
6.8%
316.48
1,073
36.0%
344.08
68
2.3%
518.88
480
16.1%
907.12
100
3.4%
943.92
53
1.8%
1043.28
240
8.0%
1840.0
55
1.8%
LARGEST VALUES
1840.0
55
1.8%
1043.28
240
8.0%
943.92
53
1.8%
907.12
100
3.4%
518.88
480
16.1%
344.08
68
2.3%
316.48
1,073
36.0%
312.8
202
6.8%
310.96
375
12.6%
309.12
39
1.3%
307.28
299
10.0%
crossterm_pr_pr31
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr16
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr29
-0.61
Protein_descriptors_HDAC6
-0.61
crossterm_pr_pr5
-0.61
crossterm_pr_pr35
-0.61
crossterm_pr_pr14
-0.61
crossterm_pr_pr22
-0.61
crossterm_pr_pr2
0.55

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
a_nF
0.17
lip_don
0.17
b_double
0.15
MOST FREQUENT VALUES
875.84
1,073
36.0%
250.24
480
16.1%
1840.0
375
12.6%
951.28
299
10.0%
325.68
240
8.0%
870.32
202
6.8%
333.04
100
3.4%
415.84
68
2.3%
310.96
55
1.8%
276.0
53
1.8%
618.24
39
1.3%
SMALLEST VALUES
250.24
480
16.1%
276.0
53
1.8%
310.96
55
1.8%
325.68
240
8.0%
333.04
100
3.4%
415.84
68
2.3%
618.24
39
1.3%
870.32
202
6.8%
875.84
1,073
36.0%
951.28
299
10.0%
1840.0
375
12.6%
LARGEST VALUES
1840.0
375
12.6%
951.28
299
10.0%
875.84
1,073
36.0%
870.32
202
6.8%
618.24
39
1.3%
415.84
68
2.3%
333.04
100
3.4%
325.68
240
8.0%
310.96
55
1.8%
276.0
53
1.8%
250.24
480
16.1%
crossterm_pr_pr32
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr25
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr47
1.00
crossterm_pr_pr50
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr8
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr4
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr28
0.92
crossterm_pr_pr13
0.92
crossterm_pr_pr21
0.92
crossterm_pr_pr3
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
272.32
1,073
36.0%
425.04
480
16.1%
333.04
375
12.6%
276.0
299
10.0%
1140.8
240
8.0%
274.16
202
6.8%
1840.0
100
3.4%
283.36
68
2.3%
907.12
55
1.8%
1225.44
53
1.8%
288.88
39
1.3%
SMALLEST VALUES
272.32
1,073
36.0%
274.16
202
6.8%
276.0
299
10.0%
283.36
68
2.3%
288.88
39
1.3%
333.04
375
12.6%
425.04
480
16.1%
907.12
55
1.8%
1140.8
240
8.0%
1225.44
53
1.8%
1840.0
100
3.4%
LARGEST VALUES
1840.0
100
3.4%
1225.44
53
1.8%
1140.8
240
8.0%
907.12
55
1.8%
425.04
480
16.1%
333.04
375
12.6%
288.88
39
1.3%
283.36
68
2.3%
276.0
299
10.0%
274.16
202
6.8%
272.32
1,073
36.0%
crossterm_pr_pr33
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr9
1.00
crossterm_pr_pr26
1.00
crossterm_pr_pr39
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr48
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr53
1.00
crossterm_pr_pr18
1.00
Protein_descriptors_HDAC9
-0.32
crossterm_pr_pr25
-0.32
crossterm_pr_pr43
-0.32
crossterm_pr_pr47
-0.32
crossterm_pr_pr50
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
483.92
1,073
36.0%
577.76
480
16.1%
415.84
375
12.6%
494.96
299
10.0%
322.0
240
8.0%
447.12
202
6.8%
283.36
100
3.4%
1840.0
68
2.3%
344.08
55
1.8%
316.48
53
1.8%
388.24
39
1.3%
SMALLEST VALUES
283.36
100
3.4%
316.48
53
1.8%
322.0
240
8.0%
344.08
55
1.8%
388.24
39
1.3%
415.84
375
12.6%
447.12
202
6.8%
483.92
1,073
36.0%
494.96
299
10.0%
577.76
480
16.1%
1840.0
68
2.3%
LARGEST VALUES
1840.0
68
2.3%
577.76
480
16.1%
494.96
299
10.0%
483.92
1,073
36.0%
447.12
202
6.8%
415.84
375
12.6%
388.24
39
1.3%
344.08
55
1.8%
322.0
240
8.0%
316.48
53
1.8%
283.36
100
3.4%
crossterm_pr_pr34
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
535.44
1,073
36%
2.12
224.48
480
16%
1.99
618.24
375
13%
2.90
288.88
340
11%
2.50
533.6
299
10%
2.16
518.88
202
7%
2.32
388.24
68
2%
2.33
309.12
55
2%
3.30
237.36
53
2%
3.12
1840.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr34
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr34:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr34
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr35
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr22
1.00
crossterm_pr_pr14
1.00
crossterm_pr_pr5
1.00
crossterm_pr_pr29
1.00
Protein_descriptors_HDAC6
1.00
crossterm_pr_pr11
-0.69
crossterm_pr_pr2
-0.69
Protein_descriptors_HDAC3
-0.69
crossterm_pr_pr1
-0.65
Protein_descriptors_HDAC2
-0.65
Protein_descriptors_HDAC1
-0.64
crossterm_pr_pr46
-0.61
crossterm_pr_pr7
-0.61
crossterm_pr_pr31
-0.61

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
opr_nring
0.10
lip_don
0.09
rings
0.09
MOST FREQUENT VALUES
249.6
1,073
36.0%
1560.0
480
16.1%
212.16
375
12.6%
210.6
299
10.0%
482.04
240
8.0%
234.0
202
6.8%
360.36
100
3.4%
489.84
68
2.3%
439.92
55
1.8%
391.56
53
1.8%
190.32
39
1.3%
SMALLEST VALUES
190.32
39
1.3%
210.6
299
10.0%
212.16
375
12.6%
234.0
202
6.8%
249.6
1,073
36.0%
360.36
100
3.4%
391.56
53
1.8%
439.92
55
1.8%
482.04
240
8.0%
489.84
68
2.3%
1560.0
480
16.1%
LARGEST VALUES
1560.0
480
16.1%
489.84
68
2.3%
482.04
240
8.0%
439.92
55
1.8%
391.56
53
1.8%
360.36
100
3.4%
249.6
1,073
36.0%
234.0
202
6.8%
212.16
375
12.6%
210.6
299
10.0%
190.32
39
1.3%
crossterm_pr_pr36
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr6
1.00
crossterm_pr_pr15
1.00
crossterm_pr_pr23
1.00
crossterm_pr_pr30
1.00
Protein_descriptors_HDAC7
1.00
crossterm_pr_pr41
1.00
crossterm_pr_pr3
0.84
crossterm_pr_pr20
0.84
crossterm_pr_pr12
0.84
Protein_descriptors_HDAC4
0.84
crossterm_pr_pr13
0.84
crossterm_pr_pr28
0.84
Protein_descriptors_HDAC5
0.84
crossterm_pr_pr21
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.29
b_double
0.29
a_nF
0.26
MOST FREQUENT VALUES
268.32
1,073
36.0%
439.92
480
16.1%
263.64
375
12.6%
260.52
299
10.0%
884.52
240
8.0%
265.2
202
6.8%
769.08
100
3.4%
291.72
68
2.3%
1560.0
55
1.8%
800.28
53
1.8%
262.08
39
1.3%
SMALLEST VALUES
260.52
299
10.0%
262.08
39
1.3%
263.64
375
12.6%
265.2
202
6.8%
268.32
1,073
36.0%
291.72
68
2.3%
439.92
480
16.1%
769.08
100
3.4%
800.28
53
1.8%
884.52
240
8.0%
1560.0
55
1.8%
LARGEST VALUES
1560.0
55
1.8%
884.52
240
8.0%
800.28
53
1.8%
769.08
100
3.4%
439.92
480
16.1%
291.72
68
2.3%
268.32
1,073
36.0%
265.2
202
6.8%
263.64
375
12.6%
262.08
39
1.3%
260.52
299
10.0%
crossterm_pr_pr37
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr5
-0.61
crossterm_pr_pr29
-0.61
crossterm_pr_pr22
-0.61
Protein_descriptors_HDAC6
-0.61
crossterm_pr_pr14
-0.61
crossterm_pr_pr35
-0.61
crossterm_pr_pr2
0.55

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
a_nF
0.17
lip_don
0.17
b_double
0.15
MOST FREQUENT VALUES
742.56
1,073
36.0%
212.16
480
16.1%
1560.0
375
12.6%
806.52
299
10.0%
276.12
240
8.0%
737.88
202
6.8%
282.36
100
3.4%
352.56
68
2.3%
263.64
55
1.8%
234.0
53
1.8%
524.16
39
1.3%
SMALLEST VALUES
212.16
480
16.1%
234.0
53
1.8%
263.64
55
1.8%
276.12
240
8.0%
282.36
100
3.4%
352.56
68
2.3%
524.16
39
1.3%
737.88
202
6.8%
742.56
1,073
36.0%
806.52
299
10.0%
1560.0
375
12.6%
LARGEST VALUES
1560.0
375
12.6%
806.52
299
10.0%
742.56
1,073
36.0%
737.88
202
6.8%
524.16
39
1.3%
352.56
68
2.3%
282.36
100
3.4%
276.12
240
8.0%
263.64
55
1.8%
234.0
53
1.8%
212.16
480
16.1%
crossterm_pr_pr38
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr50
1.00
crossterm_pr_pr32
1.00
crossterm_pr_pr25
1.00
crossterm_pr_pr47
1.00
crossterm_pr_pr8
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr13
0.92
crossterm_pr_pr28
0.92
crossterm_pr_pr21
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr4
0.92
crossterm_pr_pr3
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
230.88
1,073
36.0%
360.36
480
16.1%
282.36
375
12.6%
234.0
299
10.0%
967.2
240
8.0%
232.44
202
6.8%
1560.0
100
3.4%
240.24
68
2.3%
769.08
55
1.8%
1038.96
53
1.8%
244.92
39
1.3%
SMALLEST VALUES
230.88
1,073
36.0%
232.44
202
6.8%
234.0
299
10.0%
240.24
68
2.3%
244.92
39
1.3%
282.36
375
12.6%
360.36
480
16.1%
769.08
55
1.8%
967.2
240
8.0%
1038.96
53
1.8%
1560.0
100
3.4%
LARGEST VALUES
1560.0
100
3.4%
1038.96
53
1.8%
967.2
240
8.0%
769.08
55
1.8%
360.36
480
16.1%
282.36
375
12.6%
244.92
39
1.3%
240.24
68
2.3%
234.0
299
10.0%
232.44
202
6.8%
230.88
1,073
36.0%
crossterm_pr_pr39
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr53
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr9
1.00
crossterm_pr_pr18
1.00
crossterm_pr_pr48
1.00
crossterm_pr_pr26
1.00
crossterm_pr_pr38
-0.32
crossterm_pr_pr50
-0.32
Protein_descriptors_HDAC9
-0.32
crossterm_pr_pr43
-0.32
crossterm_pr_pr32
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
410.28
1,073
36.0%
489.84
480
16.1%
352.56
375
12.6%
419.64
299
10.0%
273.0
240
8.0%
379.08
202
6.8%
240.24
100
3.4%
1560.0
68
2.3%
291.72
55
1.8%
268.32
53
1.8%
329.16
39
1.3%
SMALLEST VALUES
240.24
100
3.4%
268.32
53
1.8%
273.0
240
8.0%
291.72
55
1.8%
329.16
39
1.3%
352.56
375
12.6%
379.08
202
6.8%
410.28
1,073
36.0%
419.64
299
10.0%
489.84
480
16.1%
1560.0
68
2.3%
LARGEST VALUES
1560.0
68
2.3%
489.84
480
16.1%
419.64
299
10.0%
410.28
1,073
36.0%
379.08
202
6.8%
352.56
375
12.6%
329.16
39
1.3%
291.72
55
1.8%
273.0
240
8.0%
268.32
53
1.8%
240.24
100
3.4%
crossterm_pr_pr40
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
453.96
1,073
36%
2.12
190.32
480
16%
1.99
524.16
375
13%
2.90
244.92
340
11%
2.50
452.4
299
10%
2.16
439.92
202
7%
2.32
329.16
68
2%
2.33
262.08
55
2%
3.30
201.24
53
2%
3.12
1560.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr40
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr40:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr40
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr41
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC7
1.00
crossterm_pr_pr6
1.00
crossterm_pr_pr15
1.00
crossterm_pr_pr23
1.00
crossterm_pr_pr30
1.00
crossterm_pr_pr36
1.00
crossterm_pr_pr20
0.84
crossterm_pr_pr3
0.84
Protein_descriptors_HDAC4
0.84
crossterm_pr_pr12
0.84
crossterm_pr_pr13
0.84
crossterm_pr_pr28
0.84
crossterm_pr_pr21
0.84
Protein_descriptors_HDAC5
0.84

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
ast_violation_ext
0.29
b_double
0.29
a_nF
0.26
MOST FREQUENT VALUES
275.2
1,073
36.0%
451.2
480
16.1%
270.4
375
12.6%
267.2
299
10.0%
907.2
240
8.0%
272.0
202
6.8%
788.8
100
3.4%
299.2
68
2.3%
1600.0
55
1.8%
820.8
53
1.8%
268.8
39
1.3%
SMALLEST VALUES
267.2
299
10.0%
268.8
39
1.3%
270.4
375
12.6%
272.0
202
6.8%
275.2
1,073
36.0%
299.2
68
2.3%
451.2
480
16.1%
788.8
100
3.4%
820.8
53
1.8%
907.2
240
8.0%
1600.0
55
1.8%
LARGEST VALUES
1600.0
55
1.8%
907.2
240
8.0%
820.8
53
1.8%
788.8
100
3.4%
451.2
480
16.1%
299.2
68
2.3%
275.2
1,073
36.0%
272.0
202
6.8%
270.4
375
12.6%
268.8
39
1.3%
267.2
299
10.0%
crossterm_pr_pr42
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr7
1.00
crossterm_pr_pr37
1.00
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr22
-0.61
crossterm_pr_pr29
-0.61
Protein_descriptors_HDAC6
-0.61
crossterm_pr_pr5
-0.61
crossterm_pr_pr14
-0.61
crossterm_pr_pr35
-0.61
Protein_descriptors_HDAC3
0.55

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
a_nF
0.17
lip_don
0.17
b_double
0.15
MOST FREQUENT VALUES
761.6
1,073
36.0%
217.6
480
16.1%
1600.0
375
12.6%
827.2
299
10.0%
283.2
240
8.0%
756.8
202
6.8%
289.6
100
3.4%
361.6
68
2.3%
270.4
55
1.8%
240.0
53
1.8%
537.6
39
1.3%
SMALLEST VALUES
217.6
480
16.1%
240.0
53
1.8%
270.4
55
1.8%
283.2
240
8.0%
289.6
100
3.4%
361.6
68
2.3%
537.6
39
1.3%
756.8
202
6.8%
761.6
1,073
36.0%
827.2
299
10.0%
1600.0
375
12.6%
LARGEST VALUES
1600.0
375
12.6%
827.2
299
10.0%
761.6
1,073
36.0%
756.8
202
6.8%
537.6
39
1.3%
361.6
68
2.3%
289.6
100
3.4%
283.2
240
8.0%
270.4
55
1.8%
240.0
53
1.8%
217.6
480
16.1%
crossterm_pr_pr43
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr25
1.00
crossterm_pr_pr32
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr50
1.00
crossterm_pr_pr47
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr8
1.00
crossterm_pr_pr13
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr21
0.92
crossterm_pr_pr4
0.92
crossterm_pr_pr28
0.92
Protein_descriptors_HDAC4
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
236.8
1,073
36.0%
369.6
480
16.1%
289.6
375
12.6%
240.0
299
10.0%
992.0
240
8.0%
238.4
202
6.8%
1600.0
100
3.4%
246.4
68
2.3%
788.8
55
1.8%
1065.6
53
1.8%
251.2
39
1.3%
SMALLEST VALUES
236.8
1,073
36.0%
238.4
202
6.8%
240.0
299
10.0%
246.4
68
2.3%
251.2
39
1.3%
289.6
375
12.6%
369.6
480
16.1%
788.8
55
1.8%
992.0
240
8.0%
1065.6
53
1.8%
1600.0
100
3.4%
LARGEST VALUES
1600.0
100
3.4%
1065.6
53
1.8%
992.0
240
8.0%
788.8
55
1.8%
369.6
480
16.1%
289.6
375
12.6%
251.2
39
1.3%
246.4
68
2.3%
240.0
299
10.0%
238.4
202
6.8%
236.8
1,073
36.0%
crossterm_pr_pr44
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr9
1.00
crossterm_pr_pr26
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr39
1.00
crossterm_pr_pr53
1.00
crossterm_pr_pr48
1.00
crossterm_pr_pr18
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr25
-0.32
crossterm_pr_pr38
-0.32
crossterm_pr_pr50
-0.32
crossterm_pr_pr32
-0.32
Protein_descriptors_HDAC9
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
420.8
1,073
36.0%
502.4
480
16.1%
361.6
375
12.6%
430.4
299
10.0%
280.0
240
8.0%
388.8
202
6.8%
246.4
100
3.4%
1600.0
68
2.3%
299.2
55
1.8%
275.2
53
1.8%
337.6
39
1.3%
SMALLEST VALUES
246.4
100
3.4%
275.2
53
1.8%
280.0
240
8.0%
299.2
55
1.8%
337.6
39
1.3%
361.6
375
12.6%
388.8
202
6.8%
420.8
1,073
36.0%
430.4
299
10.0%
502.4
480
16.1%
1600.0
68
2.3%
LARGEST VALUES
1600.0
68
2.3%
502.4
480
16.1%
430.4
299
10.0%
420.8
1,073
36.0%
388.8
202
6.8%
361.6
375
12.6%
337.6
39
1.3%
299.2
55
1.8%
280.0
240
8.0%
275.2
53
1.8%
246.4
100
3.4%
crossterm_pr_pr45
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
465.6
1,073
36%
2.12
195.2
480
16%
1.99
537.6
375
13%
2.90
251.2
340
11%
2.50
464.0
299
10%
2.16
451.2
202
7%
2.32
337.6
68
2%
2.33
268.8
55
2%
3.30
206.4
53
2%
3.12
1600.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr45
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr45:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr45
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr46
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr22
-0.61
crossterm_pr_pr35
-0.61
crossterm_pr_pr29
-0.61
Protein_descriptors_HDAC6
-0.61
crossterm_pr_pr5
-0.61
crossterm_pr_pr14
-0.61
crossterm_pr_pr2
0.55

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
1.00
a_nF
0.17
lip_don
0.17
b_double
0.15
MOST FREQUENT VALUES
818.72
1,073
36.0%
233.92
480
16.1%
1720.0
375
12.6%
889.24
299
10.0%
304.44
240
8.0%
813.56
202
6.8%
311.32
100
3.4%
388.72
68
2.3%
290.68
55
1.8%
258.0
53
1.8%
577.92
39
1.3%
SMALLEST VALUES
233.92
480
16.1%
258.0
53
1.8%
290.68
55
1.8%
304.44
240
8.0%
311.32
100
3.4%
388.72
68
2.3%
577.92
39
1.3%
813.56
202
6.8%
818.72
1,073
36.0%
889.24
299
10.0%
1720.0
375
12.6%
LARGEST VALUES
1720.0
375
12.6%
889.24
299
10.0%
818.72
1,073
36.0%
813.56
202
6.8%
577.92
39
1.3%
388.72
68
2.3%
311.32
100
3.4%
304.44
240
8.0%
290.68
55
1.8%
258.0
53
1.8%
233.92
480
16.1%
crossterm_pr_pr47
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr25
1.00
crossterm_pr_pr32
1.00
crossterm_pr_pr50
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr8
1.00
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr13
0.92
crossterm_pr_pr28
0.92
crossterm_pr_pr4
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr21
0.92
crossterm_pr_pr20
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
254.56
1,073
36.0%
397.32
480
16.1%
311.32
375
12.6%
258.0
299
10.0%
1066.4
240
8.0%
256.28
202
6.8%
1720.0
100
3.4%
264.88
68
2.3%
847.96
55
1.8%
1145.52
53
1.8%
270.04
39
1.3%
SMALLEST VALUES
254.56
1,073
36.0%
256.28
202
6.8%
258.0
299
10.0%
264.88
68
2.3%
270.04
39
1.3%
311.32
375
12.6%
397.32
480
16.1%
847.96
55
1.8%
1066.4
240
8.0%
1145.52
53
1.8%
1720.0
100
3.4%
LARGEST VALUES
1720.0
100
3.4%
1145.52
53
1.8%
1066.4
240
8.0%
847.96
55
1.8%
397.32
480
16.1%
311.32
375
12.6%
270.04
39
1.3%
264.88
68
2.3%
258.0
299
10.0%
256.28
202
6.8%
254.56
1,073
36.0%
crossterm_pr_pr48
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr9
1.00
crossterm_pr_pr18
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr53
1.00
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr26
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr39
1.00
crossterm_pr_pr8
-0.32
crossterm_pr_pr50
-0.32
crossterm_pr_pr47
-0.32
crossterm_pr_pr32
-0.32
Protein_descriptors_HDAC9
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
452.36
1,073
36.0%
540.08
480
16.1%
388.72
375
12.6%
462.68
299
10.0%
301.0
240
8.0%
417.96
202
6.8%
264.88
100
3.4%
1720.0
68
2.3%
321.64
55
1.8%
295.84
53
1.8%
362.92
39
1.3%
SMALLEST VALUES
264.88
100
3.4%
295.84
53
1.8%
301.0
240
8.0%
321.64
55
1.8%
362.92
39
1.3%
388.72
375
12.6%
417.96
202
6.8%
452.36
1,073
36.0%
462.68
299
10.0%
540.08
480
16.1%
1720.0
68
2.3%
LARGEST VALUES
1720.0
68
2.3%
540.08
480
16.1%
462.68
299
10.0%
452.36
1,073
36.0%
417.96
202
6.8%
388.72
375
12.6%
362.92
39
1.3%
321.64
55
1.8%
301.0
240
8.0%
295.84
53
1.8%
264.88
100
3.4%
crossterm_pr_pr49
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
500.52
1,073
36%
2.12
209.84
480
16%
1.99
577.92
375
13%
2.90
270.04
340
11%
2.50
498.8
299
10%
2.16
485.04
202
7%
2.32
362.92
68
2%
2.33
288.96
55
2%
3.30
221.88
53
2%
3.12
1720.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr49
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr49:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr49
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr50
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr8
1.00
crossterm_pr_pr32
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr47
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr25
1.00
crossterm_pr_pr13
0.92
Protein_descriptors_HDAC5
0.92
crossterm_pr_pr28
0.92
crossterm_pr_pr4
0.92
crossterm_pr_pr21
0.92
crossterm_pr_pr20
0.85

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
1.00
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
a_nF
0.35
b_double
0.33
ast_violation_ext
0.32
MOST FREQUENT VALUES
704.48
1,073
36.0%
1099.56
480
16.1%
861.56
375
12.6%
714.0
299
10.0%
2951.2
240
8.0%
709.24
202
6.8%
4760.0
100
3.4%
733.04
68
2.3%
2346.68
55
1.8%
3170.16
53
1.8%
747.32
39
1.3%
SMALLEST VALUES
704.48
1,073
36.0%
709.24
202
6.8%
714.0
299
10.0%
733.04
68
2.3%
747.32
39
1.3%
861.56
375
12.6%
1099.56
480
16.1%
2346.68
55
1.8%
2951.2
240
8.0%
3170.16
53
1.8%
4760.0
100
3.4%
LARGEST VALUES
4760.0
100
3.4%
3170.16
53
1.8%
2951.2
240
8.0%
2346.68
55
1.8%
1099.56
480
16.1%
861.56
375
12.6%
747.32
39
1.3%
733.04
68
2.3%
714.0
299
10.0%
709.24
202
6.8%
704.48
1,073
36.0%
crossterm_pr_pr51
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
crossterm_pr_pr9
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr53
1.00
crossterm_pr_pr26
1.00
crossterm_pr_pr39
1.00
crossterm_pr_pr48
1.00
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr18
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr50
-0.32
crossterm_pr_pr17
-0.32
crossterm_pr_pr32
-0.32
crossterm_pr_pr47
-0.32
Protein_descriptors_HDAC9
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
1251.88
1,073
36.0%
1494.64
480
16.1%
1075.76
375
12.6%
1280.44
299
10.0%
833.0
240
8.0%
1156.68
202
6.8%
733.04
100
3.4%
4760.0
68
2.3%
890.12
55
1.8%
818.72
53
1.8%
1004.36
39
1.3%
SMALLEST VALUES
733.04
100
3.4%
818.72
53
1.8%
833.0
240
8.0%
890.12
55
1.8%
1004.36
39
1.3%
1075.76
375
12.6%
1156.68
202
6.8%
1251.88
1,073
36.0%
1280.44
299
10.0%
1494.64
480
16.1%
4760.0
68
2.3%
LARGEST VALUES
4760.0
68
2.3%
1494.64
480
16.1%
1280.44
299
10.0%
1251.88
1,073
36.0%
1156.68
202
6.8%
1075.76
375
12.6%
1004.36
39
1.3%
890.12
55
1.8%
833.0
240
8.0%
818.72
53
1.8%
733.04
100
3.4%
crossterm_pr_pr52
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
1385.16
1,073
36%
2.12
580.72
480
16%
1.99
1599.36
375
13%
2.90
747.32
340
11%
2.50
1380.4
299
10%
2.16
1342.32
202
7%
2.32
1004.36
68
2%
2.33
799.68
55
2%
3.30
614.04
53
2%
3.12
4760.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr52
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr52:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr52
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr53
MISSING:
---
NUMERICAL ASSOCIATIONS
(PEARSON, -1 to 1)
Protein_descriptors_HDAC10
1.00
crossterm_pr_pr9
1.00
crossterm_pr_pr33
1.00
crossterm_pr_pr39
1.00
crossterm_pr_pr44
1.00
crossterm_pr_pr48
1.00
crossterm_pr_pr51
1.00
crossterm_pr_pr18
1.00
crossterm_pr_pr26
1.00
Protein_descriptors_HDAC9
-0.32
crossterm_pr_pr43
-0.32
crossterm_pr_pr50
-0.32
crossterm_pr_pr38
-0.32
crossterm_pr_pr17
-0.32

CATEGORICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr54
1.00
crossterm_pr_pr55
0.80
ast_violation_ext
0.13
lip_don
0.13
a_don
0.12
MOST FREQUENT VALUES
389.24
1,073
36.0%
464.72
480
16.1%
334.48
375
12.6%
398.12
299
10.0%
259.0
240
8.0%
359.64
202
6.8%
227.92
100
3.4%
1480.0
68
2.3%
276.76
55
1.8%
254.56
53
1.8%
312.28
39
1.3%
SMALLEST VALUES
227.92
100
3.4%
254.56
53
1.8%
259.0
240
8.0%
276.76
55
1.8%
312.28
39
1.3%
334.48
375
12.6%
359.64
202
6.8%
389.24
1,073
36.0%
398.12
299
10.0%
464.72
480
16.1%
1480.0
68
2.3%
LARGEST VALUES
1480.0
68
2.3%
464.72
480
16.1%
398.12
299
10.0%
389.24
1,073
36.0%
359.64
202
6.8%
334.48
375
12.6%
312.28
39
1.3%
276.76
55
1.8%
259.0
240
8.0%
254.56
53
1.8%
227.92
100
3.4%
crossterm_pr_pr54
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
430.68
1,073
36%
2.12
180.56
480
16%
1.99
497.28
375
13%
2.90
232.36
340
11%
2.50
429.2
299
10%
2.16
417.36
202
7%
2.32
312.28
68
2%
2.33
248.64
55
2%
3.30
190.92
53
2%
3.12
1480.0
39
1%
2.92
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr54
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr54:
Protein_descriptors_HDAC11
1.00
crossterm_pr_pr10
1.00
crossterm_pr_pr19
1.00
crossterm_pr_pr27
1.00
crossterm_pr_pr34
1.00
crossterm_pr_pr40
1.00
crossterm_pr_pr45
1.00
crossterm_pr_pr49
1.00
crossterm_pr_pr52
1.00
crossterm_pr_pr55
0.99
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr54
CORRELATION RATIO WITH...
Protein_descriptors_HDAC8
1.00
crossterm_pr_pr24
1.00
crossterm_pr_pr42
1.00
crossterm_pr_pr7
1.00
crossterm_pr_pr16
1.00
crossterm_pr_pr31
1.00
crossterm_pr_pr37
1.00
crossterm_pr_pr46
1.00
crossterm_pr_pr1
1.00
Protein_descriptors_HDAC2
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
Protein_descriptors_HDAC1
1.00
crossterm_pr_pr55
MISSING:
---
TOP CATEGORIES
pIC50
(avg)
765.33
1,073
36%
2.12
383.08
480
16%
1.99
759.36
375
13%
2.90
780.1
299
10%
2.16
274.75
240
8%
2.49
685.26
202
7%
2.32
2110.0
107
4%
2.55
241.78
100
3%
2.53
314.16
55
2%
3.30
221.88
53
2%
3.12
ALL
2,984
100%
2.31
CATEGORICAL ASSOCIATIONS
(UNCERTAINTY COEFFICIENT, 0 to 1)
crossterm_pr_pr55
PROVIDES INFORMATION ON...
a_acid
1.00
a_nB
1.00
a_nP
1.00
mutagenic
1.00
nmol
1.00
PC+
1.00
PC-
1.00
Q_PC+
1.00
Q_PC-
1.00
Q_RPC+
1.00
Q_RPC-
1.00
Q_VSA_FHYD
1.00
Q_VSA_FNEG
1.00
Q_VSA_FPNEG
1.00

THESE FEATURES GIVE INFORMATION
ON crossterm_pr_pr55:
Protein_descriptors_HDAC11
0.96
crossterm_pr_pr10
0.96
crossterm_pr_pr19
0.96
crossterm_pr_pr27
0.96
crossterm_pr_pr34
0.96
crossterm_pr_pr40
0.96
crossterm_pr_pr45
0.96
crossterm_pr_pr49
0.96
crossterm_pr_pr52
0.96
crossterm_pr_pr54
0.96
ast_violation_ext
0.04
lip_don
0.04
b_double
0.04
a_don
0.04

NUMERICAL ASSOCIATIONS
(CORRELATION RATIO, 0 to 1)
crossterm_pr_pr55
CORRELATION RATIO WITH...
Protein_descriptors_HDAC9
1.00
crossterm_pr_pr38
1.00
crossterm_pr_pr43
1.00
crossterm_pr_pr8
1.00
crossterm_pr_pr32
1.00
crossterm_pr_pr17
1.00
crossterm_pr_pr25
1.00
crossterm_pr_pr47
1.00
crossterm_pr_pr50
1.00
Protein_descriptors_HDAC3
1.00
crossterm_pr_pr2
1.00
crossterm_pr_pr11
1.00
crossterm_pr_pr12
1.00
Protein_descriptors_HDAC4
1.00